GU Feng Long

… Alternative Names

FENG・LONG Gu フェン・ロング

Less

Researcher Number	80404036
Affiliation (based on the past Project Information) *help	2015: 華南師範大学, 教授 2011: 華南師範大学, 化学 & 環境学院, 教授 2010: 華南師範大学, 化学&環境学院, 教授 2005: 九州大学, 大学院・総合理工学研究院, 学術研究員 2005: Kyushu University, Faculty of Engineering Sciences, Researcher, 大学院・総合理工学研究院, 特任助教授
Review Section/Research Field	Except Principal Investigator Physical chemistry / Physical chemistry
Keywords	Except Principal Investigator 電子状態 / タンパク質 / Elongation法 / 構造最適化 / 量子化学 / 局所状態密度 / 塩基配列 / DNA / 導電性 / ＤＮＡ … More / Ｅｌｏｎｇａｔｉｏｎ法 / バンド構造 / ミスマッチ / 電子相関 / 分子軌道法 / quantum chemistry / total energy / Order-N method / electronic states / collagen triple helix / Peptides / parallel synthesis / Elongation method / 構造転移 / 局在化分子軌道 / ポリシラン / ポリエチレン / MOPAC / 階層的合成法 / 高分子 / エネルギー勾配法 / オーダーN法 / 非線形光学特性 / 有限軌道基底 / オーダーN / 時間依存Hartree-Fock法 / 局所振動解析 / 局所電子相関効果 / 局所構造最適化 / 電子状態動力学法 / 大規模生体高分子 / 励起状態 / プロトンポンプ / 塩基配 / Elonation法 / 生体高分子 Less

Quantum chemistry method with electron correlation effect for the analysis of the cooperative molecular recognition process in DNA
- Principal Investigator
  
  Aoki Yuriko
- Project Period (FY)
  2011 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyushu University
Highly accurate electronic states dynamics for mechanism analysis of electron and proton transfers in proteins
- Principal Investigator
  
  AOKI Yuriko
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Physical chemistry
- Research Institution
  Kyushu University
Study on theoretical chemistry to the relationship between DNA sequence and electronic conductivity.
- Principal Investigator
  
  AOKI Yuriko
- Project Period (FY)
  2007 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyushu University
Parallel synthesis method of the electronic structures for proteins/nucleic acids and the development of the analytic system of their structures and functions
- Principal Investigator
  
  AOKI Yuriko
- Project Period (FY)
  2002 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  KYUSHU UNIVERSITY
  Hiroshima University

All 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004

All Journal Article Presentation Book

[Book] Calculations on Nonlinear Optical Properties for Large Systems:The Elongation Method2015
- Author(s)
  Feng Long Gu, Yuriko Aoki, Michael Springborg, and Bernard Kirtman
- Total Pages
  93
- Publisher
  SPRINGER BRIEFS IN MOLECULAR SCIENCE, ELECTRICAL AND MAGNETIC PROPERTIES OF ATOMS, MOLECULES, AND CLUSTERS, Springer International Publishing
- Data Source
  KAKENHI-PROJECT-23245005
[Book] Elongation Method for Delocalized Nano-wires2012
- Author(s)
  Y. Aoki and F. L. Gu
- Publisher
  Progress in Chemistry, Chinese Academy of Science
- Data Source
  KAKENHI-PROJECT-23245005
[Book] Elongation Method for Delocalized Nano-wires2012
- Author(s)
  Yuriko Aoki, Feng Long Gu
- Publisher
  Progress in Chemistry(In press)
- Data Source
  KAKENHI-PROJECT-21655007
[Book] Elongation Method for Delocalized Nano-wires2012
- Author(s)
  Yuriko Aoki, Feng Long Gu
- Publisher
  Progress in Chemistry(In press)
- Data Source
  KAKENHI-PROJECT-23245005
[Book] Elongation Method for Delocalized Nano-wires2012
- Author(s)
  Y. Aoki and F. L. Gu
- Publisher
  Progress in Chemistry
- Data Source
  KAKENHI-PROJECT-21655007
[Book] Elongation method for large systems and its applications to bio-systems. Phys. Chem. Chem. Phys.,2012
- Author(s)
  Y. Aoki and F. L. Gu
- Publisher
  Royal Society of Chemistry
- Data Source
  KAKENHI-PROJECT-21655007
[Book] Elongation Method : TOWARDS LINEAR SCALING FOR ELECTRONIC STRUCTURE OF RANDOM POLYMERS AND OTHER QUASILINEAR MATERIALS (Linear-Scaling Techniques in Computational Chemistry and Physics, Methods and Applications, Series : Challenges and Advances in Computational Chemistry and Physics, Vol.13)(edited by Robert Zalesny, Manthos G.G.Papadopoulos, Paul G.G.Mezey, Jerzy Leszczynski)2011
- Author(s)
  F.L.Gu, B.Kirtman, Y.Aoki
- Publisher
  Springer
- Data Source
  KAKENHI-PROJECT-19350012
[Book] Elongation method and its applications to NLO materials, Chemical Modeling : Applications and Theory, Volume 7, ed by Springborg, Royal Society of Chemistry2010
- Author(s)
  F.L.Gu, Y.Aoki
- Publisher
  Royal Society of Chemistry
- Data Source
  KAKENHI-PROJECT-21655007
[Book] Elongation method and its applications to NLO materials, Chemical Modeling : Applications and Theory, Volume 7, ed by Springborg, Royal Society of Chemistry2010
- Author(s)
  F.L.Gu, Y.Aoki
- Publisher
  Royal Society of Chemistry
- Data Source
  KAKENHI-PROJECT-19350012
[Book] Elongation Method : TOWARDS LINEAR SCALING FOR ELECTRONIC STRUCTURE OF RANDOM POLYMERS AND OTHER QUASILINEAR MATERIALS, Chemical Modelling Volume 7 ed by Manthos Papadopoulos2010
- Author(s)
  F.L.Gu, B.Kirtman, Y.Aoki
- Publisher
  Chemical Modelling
- Data Source
  KAKENHI-PROJECT-19350012
[Book] Elongation Method : TOWARDS LINEAR SCALING FOR ELECTRONIC STRUCTURE OF RANDOM POLYMERS AND OTHER QUASILINEAR MATERIALS, Chemical Modelling Volume 7 ed by Manthos Papadopoulos2010
- Author(s)
  F.L.Gu, B.Kirtman, Y.Aoki
- Publisher
  Chemical Modelling
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Intermediate electrostatic field for the elongation method2014
- Author(s)
  P. Kuzniarowicz, K. Liu, Y. Aoki, F. L. Gu, A. Stachowicz, and J. Korchowiec
- Journal Title
  
  J. Mol. Model.
  
  Volume: in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23245005
[Journal Article] Intermediate electrostatic field for the elongation method2014
- Author(s)
  Piotr Kuzniarowicz, Kai Liu, Yuriko Aoki, Feng Long Gu, Anna Stachowicz, and Jacek Korchowiec
- Journal Title
  
  J. Mol. Model.
  
  Volume: 20 Issue: 6
- DOI
  10.1007/s00894-014-2277-6
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23245005
[Journal Article] Three dimensional elongation method for large molecular calculations2013
- Author(s)
  K. Liu, L. Peng, F. L. Gu, and Y. Aoki
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 560 Pages: 66-70
- DOI
  10.1016/j.cplett.2012.12.046
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23245005
[Journal Article] A modified localization scheme for the three-dimensional elongation method applied to large systems2013
- Author(s)
  K. Liu, Y. Yan, F. L. Gu, and Y. Aoki
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 565 Pages: 143-147
- DOI
  10.1016/j.cplett.2013.02.039
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23245005
[Journal Article] Elongation Method for Linear Scaling2012
- Author(s)
  Y. Aoki and F. L. Gu
- Journal Title
  
  AIP
  
  Volume: in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Geometry Optimization for Large Systems by the Elongation Method2012
- Author(s)
  K. Liu, J. Korchowiec, F. L. Gu, and Y. Aoki
- Journal Title
  
  Theor. Chem. Acc.
  
  Volume: 131 Issue: 10
- DOI
  10.1007/s00214-012-1277-9
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23245005
[Journal Article] Counter-ion effects of A- & B-type poly(dG)・poly(dC) and poly(dA)・poly(dT) DNA by elongation method2012
- Author(s)
  P.Xie, K.Liu, F.L.Gu, Y.Aoki
- Journal Title
  
  Int.J.Quantum Chem.
  
  Volume: 112(1) Issue: 1 Pages: 230-239
- DOI
  10.1002/qua.23230
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007, KAKENHI-PROJECT-23245005
[Journal Article] Elongation Method for Linear Scaling2012
- Author(s)
  F. L. Gu, and Y. Aoki
- Journal Title
  
  International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009)
  
  Volume: 1504（1） Pages: 167-175
- DOI
  10.1063/1.4771712
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23245005
[Journal Article] Band Structure of Polymer Extracted from Oligomer Calculations by Elongation Method and Its Applications to Nanosystems2012
- Author(s)
  A. Pomogaeva, M. Springborg, B. Kirtman, F. L. Gu, and Y. Aoki
- Journal Title
  
  International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009)
  
  Volume: 1504（1） Pages: 563-566
- DOI
  10.1063/1.4771759
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23245005
[Journal Article] An elongation method for large systems toward bio-systems2012
- Author(s)
  Y. Aoki and F. L. Gu
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 14(21) Issue: 21 Pages: 7640-7668
- DOI
  10.1039/c2cp24033e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23245005
[Journal Article] Efficient algorithm for computing orbital energies within elongation method2012
- Author(s)
  O.Loboda, F.L.Gu, A.Pomogaeva, M.Makowski, Y.Aoki
- Journal Title
  
  International Conference of Computational Methods in Sciences and Engineering 2009, AIP Proceedings
  
  Volume: (In press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Efficient algorithm for computing orbital energies within elongation method2012
- Author(s)
  O.Loboda, F.L.Gu, A.Pomogaeva, M.Makowski, Y.Aoki
- Journal Title
  
  International Conference of Computational Methods in Sciences and Engineering 2009, AIP Proceedings
  
  Volume: (In press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23245005
[Journal Article] Efficient algorithm for computing orbital energies within elongation method2012
- Author(s)
  O. Loboda, F. L. Gu, A. Pomogaeva, M. Makowski, and Y. Aoki
- Journal Title
  
  International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009)
  
  Volume: 1504（1） Pages: 544-547
- DOI
  10.1063/1.4771755
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23245005
[Journal Article] Generalized Elongation Method : From One-Dimension to Three-Dimension, International Conference of Computational Methods in Sciences and Engineering2012
- Author(s)
  Y. Aoki and F. L. Gu
- Journal Title
  
  Theory and Computation : Old Problems and New Challenge, International Conference of Computational Methods in Sciences and Engineering
  
  Volume: in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Generalized Elongation Method: From One-Dimension to Three-Dimension, International Conference of Computational Methods in Sciences and Engineering: Theory and Computation: Old Problems and New Challenge2012
- Author(s)
  Y. Aoki, and F. L. Gu
- Journal Title
  
  International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009)
  
  Volume: 1504（1） Pages: 647-650
- DOI
  10.1063/1.4771778
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23245005
[Journal Article] Counter-ion effects of A- & B-type poly(dG). poly(dC) and poly(dA). poly(dT) DNA by elongation method2012
- Author(s)
  P. Xie, K. Liu, F. L. Gu, and Y. Aoki
- Journal Title
  
  Int. J. Quantum Chem
  
  Volume: 112(1) Pages: 230-239
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Highly accurate O(N) method for delocalized systems2011
- Author(s)
  Y.Aoki, O.Loboda, K.Liu, M.A.Makowski, F.L.Gu
- Journal Title
  
  Theor.Chem.Acc.
  
  Volume: 130(4-6) Issue: 4-6 Pages: 595-608
- DOI
  10.1007/s00214-011-1011-z
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-09F09239, KAKENHI-PROJECT-21655007, KAKENHI-PROJECT-23245005
[Journal Article] Highly accurate O(N) method for delocalized systems2011
- Author(s)
  Y. Aoki, O. Loboda, K. Liu, M. A. Makowski, and F. L. Gu
- Journal Title
  
  Theor. Chem. Acc.
  
  Volume: 130(4-6) Pages: 595-608
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Elongation Method for Linear Scaling2010
- Author(s)
  Y.Aoki, F.L.Gu
- Journal Title
  
  AIP full paper of the ICCMSE 2009 (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Band Structure of Polymer Extracted from Oligomer Calculations by Elongation Method and Its Applications to Nanosystems2010
- Author(s)
  A.Pomogaeva, M.Springborg, B.Kirtman, F.L.Gu, Y.Aoki
- Journal Title
  
  Proceedings of the ICCMSE 2009 (in press)
  
  Pages: 30-33
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Efficient algorithm for computing orbital energies within elongation method2010
- Author(s)
  O.Loboda, F.L.Gu, A.Pomogaeva, M.Makowski, Y.Aoki
- Journal Title
  
  Proceedings of the ICCMSE 2009 (in press)
  
  Pages: 34-37
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Elongation Cutoff Technique at Kohn-Sham Level of Theory2010
- Author(s)
  J.Korchowiec, P.D.Silva, M.Makowski, F.L.Gu, Y.Aoki
- Journal Title
  
  Int.J.Quantum Chem.
  
  Volume: 110(12) Pages: 2130-2139
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Elongation Cutoff Technique at Kohn-Sham Level of Theory2010
- Author(s)
  J. Korchowiec, P. D. Silva, M. Makowski, F. L. Gu, and Y. Aoki
- Journal Title
  
  Int. J. Quantum Chem
  
  Volume: 110(12) Pages: 2130-2139
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Electronic structures and nonlinear optical properties of supramolecular associations of benzo-2, 1, 3-chalcogendiazoles by the elongation method2010
- Author(s)
  A.Pomogaeva, F.L.Gu, A.Imamura, Y.Aoki
- Journal Title
  
  Theor. Chem. Acc. 125(3-6)
  
  Pages: 453-460
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Cutoff Technique at Kohn-Sham Level of Theory2010
- Author(s)
  J.Korchowiec, P.D.Silva, M.Makowski, F.L.Gu, Y.Aoki
- Journal Title
  
  Int.J.Quantum Chem. 110(12)
  
  Pages: 2130-2139
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Theoretical study on nonlinear optical properties of metalloporphyrin using elongation method2010
- Author(s)
  L.K.Yan, A.Pomogaeva, F.L.Gu, Y.Aoki
- Journal Title
  
  Theor. Chem. Acc. 125(3-6)
  
  Pages: 511-520
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Generalized Elongation Method : From One-Dimension to Three-Dimension, International Conference of Computational Methods in Sciences and Engineering : Theory and Computation : Old Problems and New Challenge2010
- Author(s)
  Y.Aoki, F.L.Gu
- Journal Title
  
  Proceedings of the ICCMSE 2009 (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Application of the elongation method to the electronic structure of spin-polarized molecular wire under electric field2010
- Author(s)
  Y.Orimoto, F.L.Gu, J.Korchowiec, A.Imamura, Y.Aoki
- Journal Title
  
  Theor. Chem. Acc. 125(3-6)
  
  Pages: 493-501
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Method for Linear Scaling2010
- Author(s)
  Y.Aoki, F.L.Gu
- Journal Title
  
  AIP full paper of the ICCMSE 2009 (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] L. K. Yan, A. Pomogaeva, F. L. Gu, and Y. Aoki2010
- Author(s)
  L. K. Yan, A. Pomogaeva, F. L. Gu, and Y. Aoki
- Journal Title
  
  Theor. Chem. Acc
  
  Volume: 125(3-6) Pages: 511-520
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Theoretical Study on Nonlinear Optical Properties of the Li+[calix[4]pyrrole]Li-Dimer, Trimer and its Polymer with Diffuse Excess Electrons2010
- Author(s)
  G.-T.Yu, W.Chen, F.L.Gu, Y.Aoki
- Journal Title
  
  J. Comput. Chem. 31(4)
  
  Pages: 863-870
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Electronic structures and nonlinear optical properties of supramolecular associations of benzo-2,1,3-chalcogendiazoles by the elongation method2010
- Author(s)
  A.Pomogaeva, F.L.Gu, A.Imamura, Y.Aoki
- Journal Title
  
  Theor.Chem.Acc. 125(3-6)
  
  Pages: 453-460
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Application of the elongation method to the electronic structure of spin-polarized molecular wire under electric field2010
- Author(s)
  Y.Orimoto, F.L.Gu, J.Korchowiec, A.Imamura, Y.Aoki
- Journal Title
  
  Theor.Chem.Acc. 125(3-6)
  
  Pages: 493-501
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Cutoff Technique at Kohn-Sham Level of Theory2010
- Author(s)
  J.Korchowiec, P.Silva, M.Makowski, F.L.Gu, Y.Aoki
- Journal Title
  
  Int. J. Quantum Chem. (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Cutoff Technique at Kohn-Sham Level of Theory2010
- Author(s)
  J.Korchowiec, P.D.Silva, M.Makowski, F.L.Gu, Y.Aoki
- Journal Title
  
  Int.J.Quantum Chem.
  
  Volume: 110(12) Pages: 2130-2139
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Theoretical study on nonlinear optical properties of metalloporphyrin using elongation method2010
- Author(s)
  L.K.Yan, A.Pomogaeva, F.L.Gu, Y.Aoki
- Journal Title
  
  Theor.Chem.Acc. 125(3-6)
  
  Pages: 511-520
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Application of the elongation method to the electronic structure of spin-polarized molecular wire under electric field2010
- Author(s)
  Y. Orimoto, F. L. Gu, J. Korchowiec, A. Imamura, and Y. Aoki
- Journal Title
  
  Theor. Chem. Acc
  
  Volume: 125(3-6) Pages: 493-501
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Electronic structures and nonlinear optical properties of supramolecular associations of benzo-2, 12010
- Author(s)
  A. Pomogaeva, F. L. Gu, A. Imamura, and Y. Aoki
- Journal Title
  
  3-chalcogendiazoles by the elongation method, Theor. Chem. Acc
  
  Volume: 125(3-6) Pages: 453-460
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Investigation on the Electronic Structures and Nonlinear Optical Properties of Pristine Boron Nitride and BN/C Heterostructured Single-Wall Nanotubes by the Elongation Method2009
- Author(s)
  W.Chen, G.-T.Yu, F.L.Gu, Y.Aoki
- Journal Title
  
  J. Phys. Chem. C 113(19)
  
  Pages: 8447-8454
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Band Structures Built by the Elongation Method2009
- Author(s)
  A.Pomogaeva, M.Springborg, B.Kirtman, F.L.Gu, Y.Aoki
- Journal Title
  
  J. Chem. Phys. 130(19)
  
  Pages: 1941061-8
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Describing Electron Correlation Effects in the Framework of the Elongation Method-Elongation-MP2 : Formalism2009
- Author(s)
  M. Makowski, J. Korchowiec, F. L. Gu, and Y. Aoki
- Journal Title
  
  Implementation and Efficiency, J. Comput. Chem
  
  Volume: 31(8) Pages: 1733-1740
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Investigation on Nonlinear Optical Properties of Ladder-structure Polydiacetylenes Derivatives by Using the Elongation Finite-Field Method2009
- Author(s)
  W. Chen, G.-T. Yu, F. L. Gu, and Y. Aoki
- Journal Title
  
  Chem. Phys. Lett
  
  Volume: 474(1-3) Pages: 175-179
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Investigation on Nonlinear Optical Properties of Ladder-structure Polydiacetylenes Derivatives by Using the Elongation Finite-Field Method2009
- Author(s)
  W.Chen, G.-T.Yu, F.L.Gu, Y.Aoki
- Journal Title
  
  Chem.Phys.Lett. 474(1-3)
  
  Pages: 175-179
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Investigation on the Electronic Structures and Nonlinear Optical Properties of Pristine Boron Nitride and BN/C Heterostructured Single-Wall Nanotubes by the Elongation Method2009
- Author(s)
  W.Chen, G.-T.Yu, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Phys.Chem.C 113(19)
  
  Pages: 8447-8454
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Cutoff Technique Armed with Quantum Fast Multipole Method for Linear Scaling2009
- Author(s)
  J.Korchowiec, J.Lewandowski, M.Makowski, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Comput.Chem. 3(15)
  
  Pages: 2515-2525
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Generalized Elongation Method : From One-Dimension to Three-Dimension, International Conference of Computational Methods in Sciences and Engineering : Theory and Computation : Old Problems and New Challenge2009
- Author(s)
  Y.Aoki, F.L.Gu
- Journal Title
  
  International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009) (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Method for Calculating Excited States of Aromatic Molecules Embedded in Polymers2009
- Author(s)
  V. Pomogaev, F. L. Gu, A. Pomogaeva, and Y. Aoki
- Journal Title
  
  Int. J. Quantum Chem.
  
  Volume: 109(6) Pages: 1328-1340
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Investigation on the Electronic Structures and Nonlinear Optical Properties of Pristine Boron Nitride and BN/C Heterostru ctured Single-Wall Nanotubes by the Elongation Method2009
- Author(s)
  W. Chen, G. -T. Yu, F. L. Gu, Y. Aoki
- Journal Title
  
  J. Phys. Chem. in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Cutoff Technique Armed with Quantum Fast Multipole Method for Linear Scaling2009
- Author(s)
  J. Korchowiec, J. Lewandowski, M. Makowski, F. L. Gu, Y. Aoki
- Journal Title
  
  J. Comput. Chem. in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Theoretical Study on Static(Hyper) polarizabilities for Polyimide by the Elongation Finite-Field Method2009
- Author(s)
  G.-T. Yu, W. Chen, F. L. Gu, Y. Orimoto, and Y. Aoki
- Journal Title
  
  Mol. Phys
  
  Volume: 107(1) Pages: 81-87
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Describing Electron Correlation Effects in the Framework of the Elongation Method-Elongation-MP2 : Formalism, Implementation and Efficiency2009
- Author(s)
  M.Makowski, J.Korchowiec, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Comput.Chem. 31(8)
  
  Pages: 1733-1740
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Band Structures Built by the Elongation Method2009
- Author(s)
  A. Pomogaeva, M. Springborg, B. Kirtman, F. L. Gu, and Y. Aoki
- Journal Title
  
  J. Chem. Phys
  
  Volume: 130(19) Pages: 1941061-8
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Theoretical Study on Nonlinear Optical Properties of the Li+[calix[4]pyrrole]Li-Dimer, Trimer and its Polymer with Diffuse Excess Electrons2009
- Author(s)
  G.-T.Yu, W.Chen, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Comput.Chem. 31(4)
  
  Pages: 863-870
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Efficient algorithm for computing orbital energies within elongation method2009
- Author(s)
  O.Loboda, F.L.Gu, A.Pomogaeva, M.Makowski, Y.Aoki
- Journal Title
  
  International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE2009) (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Cutoff Technique Armed with Quantum Fast Multipole Method for Linear Scaling2009
- Author(s)
  J.Korchowiec, J.Lewandowski, M.Makowski, F.L.Gu, Y.Aoki
- Journal Title
  
  J. Comput. Chem. 3(15)
  
  Pages: 2515-2525
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Investigation on Nonlinear Optical Properties of Ladder-structure Polydiacetylenes Derivatives by Using the Elongation Finite-Field Method2009
- Author(s)
  W.Chen, G.-T.Yu, F.L.Gu, Y.Aoki
- Journal Title
  
  Chem. Phys. Lett. 474(1-3)
  
  Pages: 175-179
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Investigation on the Electronic Structures and Nonlinear Optical Properties of Pristine Boron Nitride and BN/C Heterostructured Single-Wall Nanotubes by the Elongation Method2009
- Author(s)
  W. Chen, G.-T. Yu, F. L. Gu, and Y. Aoki
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 113(19) Pages: 8447-8454
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Band Structures Built by the Elongation Method2009
- Author(s)
  A.Pomogaeva, M.Springborg, B.Kirtman, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Chem.Phys. 130(19)
  
  Pages: 1941061-1941068
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Theoretical Study on Static (Hyper) polarizabilities for Polyimide by the Elongation Finite-Field Method2009
- Author(s)
  G.-T.Yu, W.Chen, F.L.Gu, Y.Orimoto, Y.Aoki
- Journal Title
  
  Mol.Phys. 107(1)
  
  Pages: 81-87
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Method for Linear Scaling2009
- Author(s)
  Y.Aoki, F.L.Gu
- Journal Title
  
  AIP (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Describing Electron Correlation Effects in the Framework of the Elongation Method-Elongation-MP2 : Formalism, Implementation and Efficiency2009
- Author(s)
  M.Makowski, J.Korchowiec, F.L.Gu, Y.Aoki
- Journal Title
  
  J. Comput. Chem. 31(8)
  
  Pages: 1733-1740
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] The Nitrogen Edge-Doped Effect on the Static First Hyperpolarizability of the Supershort Single-Walled Carbon Nanotube2009
- Author(s)
  H. -L. Xu, F. -F. Wang, Z. -R. Li, B. -Q. Wang, D. Wu, W. Chen, G. -T. Yu, F. L. Gu, Y. Aoki
- Journal Title
  
  J. Comput. Chem. in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Method for Calculating Excited States of Aromatic Molecules Embedded in Polymers2009
- Author(s)
  V.Pomogaev, F.L.Gu, A.Pomogaeva, Y.Aoki
- Journal Title
  
  Int.J.Quantum Chem. 109(6)
  
  Pages: 1328-1340
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Method for Calculating Excited States of Aromatic Molecules Embedded in Polymers2009
- Author(s)
  V.Pomogaev, F.L.Gu, A.Pornogaeva, Y.Aoki
- Journal Title
  
  Int. J. Quantum Chem. 109(6)
  
  Pages: 1328-1340
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] The Nitrogen Edge-Doped Effect on the Static First Hyperpolarizability of the Supershort Single-Walled Carbon Nanotube2009
- Author(s)
  H.-L.Xu, F.-F.Wang, Z.-R.Li, B.-Q.Wang, D.Wu, W.Chen, G.-T.Yu, F.L.Gu, Y.Aoki
- Journal Title
  
  J. Comput. Chem. 30(7)
  
  Pages: 1128-1134
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Band Structure of Polymer Extracted from Oligomer Calculations by Elongation Method and Its Applications to Nanosystems2009
- Author(s)
  A.Pomogaeva, M.Springborg, B.Kirtman, F.L.Gu, Y.Aoki
- Journal Title
  
  International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009) (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Band Structure of Polymer Extracted from Oligomer Calculations by Elongation Method and Its Applications to Nanosystems2009
- Author(s)
  A. Pomogaeva, M. Springborg, B. Kirtman, F. L. Gu, and Y. Aoki
- Journal Title
  
  International Conference of Computational Methods in Sciences and Engineering 2009
  
  Volume: in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Efficient algorithm for computing orbital energies within elongation method2009
- Author(s)
  O. Loboda, F. L. Gu, A. Pomogaeva, M. Makowski, and Y. Aoki
- Journal Title
  
  International Conference of Computational Methods in Sciences and Engineering 2009
  
  Volume: in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Theoretical Study on Nonlinear Optical Properties of the Li+[ calix[ 4] pyrrole] Li-Dimer2009
- Author(s)
  G.-T. Yu, W. Chen, F. L. Gu, and Y. Aoki
- Journal Title
  
  Trimer and its Polymer with Diffuse Excess Electrons, J. Comput. Chem
  
  Volume: 31(4 Pages: 863-870
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Elongation Cutoff Technique Armed with Quantum Fast Multipole Method for Linear Scaling2009
- Author(s)
  J. Korchowiec, J. Lewandowski, M. Makowski, F. L. Gu, and Y. Aoki
- Journal Title
  
  J. Comput. Chem
  
  Volume: 3(15) Pages: 2515-2525
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655007
[Journal Article] Describing Electron Correlation Effects in the Framework of the Elongation Method-Elongation-MP2 : Formalism, Implementation and Efficiency2009
- Author(s)
  M. Makowski, J. Korchowiec, F. L. Gu, Y. Aoki
- Journal Title
  
  J.Comput.Chem. 31(8)
  
  Pages: 1733-1740
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Theoretical Study on Static(Hyper)polarizabilities for Polyimide by the Elongation Finite-Field Method2009
- Author(s)
  G.-T.Yu, W.Chen, F.L.Gu, Y.Orimoto, Y.Aoki
- Journal Title
  
  Mol. Phys. 107(1)
  
  Pages: 81-87
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Theoretical Study on Static (Hyper)polarizabilities for polyimide by the Elongation Finite-Field Method2009
- Author(s)
  G. -T. Yu, W. Chen, F. L. Gu, Y. Orimoto, Y. Aoki
- Journal Title
  
  Mol. Phys. in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Band Structure of Polymer Extracted from Oligomer Calculateons2008
- Author(s)
  A. Pomogaeva, B. Kirtman, F. L. Gu, Y. Aoki
- Journal Title
  
  J.Chem.Phys 128
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Band structure built from oligomer calculations2008
- Author(s)
  A. Pomogaeva, B. Kirtman, F. L. Gu, Y. Aoki
- Journal Title
  
  J.Chem.Phys. 128(7)
  
  Pages: 0741091-7
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Method for Calculating Excited States of Aromatic Molecules Embedded in Polymers2008
- Author(s)
  V. Pomogaev, F. L. Gu, A. Pomogaeva, Y. Aoki
- Journal Title
  
  Int. J. Quantum Chem. 109(6)
  
  Pages: 1328-1340
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Lithium Salt Electride with an Excess Electron Pair#A Class of Nonlinear Optical Molecules for Extraordinary First Hyperpolarizability2008
- Author(s)
  F. Ma, Z. -R. Li, H. -L. Xu, Z. -J. Li, Z. -S. Li, Y. Aoki, F. L. Gu
- Journal Title
  
  J. Phys. Chem. 112
  
  Pages: 11462-11467
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Efficient analytical approach for predicting the Peierls distortion in molecular crystals2008
- Author(s)
  A. Pomogaeva, B. Kirtman, F. L. Gu, Y. Aoki
- Journal Title
  
  J. Chem. Phys. 128
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Band structure built from oligomer calculations2008
- Author(s)
  A.Pomogaeva, B.Kirtman, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Chem.Phys. 128(7)
  
  Pages: 741091-741097
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Structures and Considerable Static First Hyperpolarizabilities : New Organic Alkalides(M+@n6adz)M'- (M, M' = Li, Na, K ; n=2, 3) with Cation Inside and Anion Outside of the Cage Complexants2008
- Author(s)
  F. -F. Wang, Z. -R. Li, D. Wu, B. -Q. Wang, Z. -J. Li, W. Chen, G. -T. Yu, F. L. Gu, Y. Aoki
- Journal Title
  
  J. Phys. Chem. B 112(4)
  
  Pages: 1090-1094
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Parallelization Efficiency of the Elongation Method and its Application to NLO Design for Urea Crystal2007
- Author(s)
  S.Ohnishi, F.L.Gu, K.Naka, Y.Aoki
- Journal Title
  
  Computing Letters 3(4)
  
  Pages: 231-241
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Band Structure of Polymer Extracted from Oligomer Calculations, Computation in Modern Science and Engineering2007
- Author(s)
  A.Pomogaeva, F.L.Gu, B.Kirtman, Y.Aoki
- Journal Title
  
  Proceedings of the ICCMSE 2007 963(2)
  
  Pages: 118-121
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Nonlinear optical properties of polydiacetylene with donor-acceptor substitution block2007
- Author(s)
  S.Ohnishi, Y.Orimoto, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Chem.Phys. 127(8)
  
  Pages: 847021-8470211
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Efficient and accurate calculations on the electronic structure of B-type poly(dG)-poly(dC) DNA by elongation method : First step toward the understanding of the biological properties of aperiodic DNA2007
- Author(s)
  Y. Orimoto, F. L. Gu, A. Imamura, Y. Aoki
- Journal Title
  
  J.Chem.Phys. 126(21)
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Efficient and accurate calculations on the electronic structure of B-type poly (dG)-poly (dC) DNA by elongation method : First step toward the understanding of the biological properties of aperiodic DNA2007
- Author(s)
  Y.Orimoto, F.L.Gu, A.Imamura, Y.Aoki
- Journal Title
  
  J.Chem.Phys. 126(21)
  
  Pages: 2151041-2151047
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Method Applied to Aperiodic Systems - Random Polypeptides, High Spin Alignment, Polymer in Solvent, and DNA, Computational Methods in Science and Engineering : Theory and Computation : Old Problems and New Challenge2007
- Author(s)
  Y.Aoki, F.L.Gu, Y.Orimoto, S.Suhai, A.Imamura
- Journal Title
  
  Lectures Presented at the ICCMSE 2007 963(1)
  
  Pages: 120-137
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Structures and Large NLO Responses of New Electrides : Li-doped Fluorocarbon Chain2007
- Author(s)
  H.-L.Xu, Z.-R.Li, D.Wu, B.-Q.Wang, Y.Li, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Am.Chem.Soc. 129(10)
  
  Pages: 2967-2970
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Efficient and accurate calculations on the electronic structure of B-type poly(dG)-poly(dC)DNA by elongation method:First step toward the understanding of the biological properties of aperiodic DNA2007
- Author(s)
  Y. Orimoto, F. L. Gu, A. Imamura, Y. Aoki
- Journal Title
  
  J.Chem.Phys 126
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Nonlinear optical properties of polydiacetylene with donor-acceptor substitution block2007
- Author(s)
  S. Ohnishi, Y. Orimoto, F. L. Gu, Y. Aoki
- Journal Title
  
  J.Chem.Phys 127
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Theoretical studies on the adsorption of Si and C chains onto the unfaulted and faulted Si (111) surface2007
- Author(s)
  R.Zhang, W.Q.Tian, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Phys.Chem.C 111(17)
  
  Pages: 6350-6356
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation Method Applied to Aperiodic Systems-Random Polypeptides, High Spin Alignment, Polymer in Solvent, and DNA2007
- Author(s)
  Y. Aoki, F. L. Gu, Y. Orimoto, S. Suhai, A. Imamura
- Journal Title
  
  Computational Methods in Science and Engineering : Theory and Computation : Old Problems and New Challenge, Lectures Presented at the ICCMSE 2007 963(1)
  
  Pages: 120-137
- Data Source
  KAKENHI-PROJECT-19350012
[Journal Article] Elongation method and supermolecule approach for the calculation of nonlinear susceptibilities.Application to the 3-methyl-4-nitropyridine 1-oxide and 2-Methyl-4-nitroaniline crystals2006
- Author(s)
  F.L.Gu et al.
- Journal Title
  
  Journal Chemical Modeling in Science and Engineering (in press)
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Shape effect on the large first hyperpolarizability of alkalide systems : Li+(NH3)4M-(M=Li, Na and K)2006
- Author(s)
  Y.-Q.Jing, Z.-R.Li, D.Wu, Y.Li, B.-Q.Wang, F.L.Gu, Y.Aoki
- Journal Title
  
  Chem Phys Chem (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Binary Clusters AuPt and Au6Pt : Structure and Reactivity within Density Functional Theory2006
- Author(s)
  W.Q.Tian, M.Ge, F-.L.Gu, T.Yamada, Y.Aoki
- Journal Title
  
  J.Phys.Chem.A (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Elongation method and supermolecule approach for the calculation of nonlinear susceptibilities. Application to the 3-methyl-4-nitropyridine 1-oxide and 2-Methyl-4-nitroaniline crystals2006
- Author(s)
  F.L.Gu, M.Guillaume, E.Botek, B.Champagne, F.Castet, L.Ducasse, Y.Aoki
- Journal Title
  
  Journal Chemical Modeling in Science and Engineering (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Elongation method for linear scaling SCF calculations of polymers2006
- Author(s)
  J.Korchowiec, F.L.Gu, Y.Aoki
- Journal Title
  
  Journal Chemical Modeling in Science and Engineering (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Nonlinear Optical Properties of Alkalides Li+(calix[4]pyrrole)M-(M=Li, Na and Kl) : Alkali Anion Atomic Number Dependence2006
- Author(s)
  W.Chen, Z.Li, C.Sun, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Am.Chem.Soc.Communication 128
  
  Pages: 1072-1073
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Effciency and accuracy of the elongation method as applied to the electronic structures of large systems2006
- Author(s)
  M.Makowski, J.Korchowiecc, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Comp.Chem. (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Elongation method and supermolecule approach for the calculation of nonlinear susceptibilities. Application to the 3-methyl-4-nitropyridine 1-oxide and 2-Methyl-4-nitroaniline crystals2006
- Author(s)
  F.L.Gu et al.
- Journal Title
  
  Journal Chemical Modeling in Science and Engineering (in press)
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Royal-crown-shaped electride Li3-N3-Be containing two superatoms : new knowledge on aromaticity2006
- Author(s)
  Z.-R.Li, F.-F.Wang, D.Wu, Y.Li, W.Chen, X.-Y.Sun, F.L.Gu, Y.Aoki
- Journal Title
  
  J.Comp.Chem. 27
  
  Pages: 986-993
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Elongation Method for Polymers and its Application to Nonlinear Optics, in Atoms, Molecules and Clusters in Electric Fields : Theoretical Approaches to the Calculation of Electric Polarizabilities2006
- Author(s)
  Feng Long Gu, Akira Imamura, Yuriko Aoki
- Journal Title
  
  Imperial College Press(edited by G.Maroulis) (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Elongation Method with Cut-off Technique for Linear SCF Scaling2005
- Author(s)
  J.Korchowiec, F.L.Gu, A.Imamura, B.Kirtman, Y.Aoki
- Journal Title
  
  Int.J.Quantum Chem. 102
  
  Pages: 785-794
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] A new localization scheme for the elongation method2004
- Author(s)
  F.L.Gu, Y.Aoki, J.Korchowiec, A.Imamura, B.Kirtman
- Journal Title
  
  J.Chem.Phys. 121
  
  Pages: 10385-10391
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Study on the optical and magnetic properties of C_<48>N_<12> azafullerene isomers2004
- Author(s)
  F.L.Gu, Z.Chen, H.Jiao, W.Q.Tian, Y.Aoki, W.Thiel, P.R.Schleyer
- Journal Title
  
  Phys.Chem.Chem.Phys. 6
  
  Pages: 4566-4570
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Elongation Method at Semi-empirical and ab initio Levels for Large Systems2004
- Author(s)
  Y.Aoki, F.L.Gu, J.Korchowiec
- Journal Title
  
  Lecture Series on Computer and Computational Sciences and Engineering 2004
  
  Pages: 775-778
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Evaluation of Nonlinear Susceptibilities of 3-Methyl-4-nitropyridine 1-oxide Crystal : An Application of the Elongation Method to Nonlinear Optical Properties2004
- Author(s)
  F.L.Gu, B.Champagne, Y.Aoki
- Journal Title
  
  Lecture Series on Computer and Computational Sciences and Engineering 2004
  
  Pages: 779-782
- Data Source
  KAKENHI-PROJECT-14340185
[Journal Article] Calculation of Static(Hyper)Polarizabilities for p-Conjugated Donor/Acceptor Molecules and Block Co-Polymers by the Elongation Finite-Field Method2004
- Author(s)
  S.Ohnishi, F.L.Gu, K.Naka, A.Imamura, B.Kirtman, Y.Aoki
- Journal Title
  
  J.Phys.Chem.A 108
  
  Pages: 8478-8484
- Data Source
  KAKENHI-PROJECT-14340185
[Presentation] Elongation法による高分子の効率的構造最適化とNLO材料設計2014
- Author(s)
  Y. Aoki, S. Abe, R. Tsutsui, K. Liu, and F. L. Gu
- Organizer
  第14回高分子計算機科学研究会討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Theoretical study of solvent effects on spin-polarized molecular wire under electric field by open-shell Elongation method with the polarizable continuum model2012
- Author(s)
  X. Zhu, Y. Orimoto, F. L. Gu, and Y. Aoki
- Organizer
  28th Symposium on Chemical Kinetics and Dynamic
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Elongation dynamics and local transition state search on reaction site2012
- Author(s)
  P. Xie, Y. Orimoto, K. Liu, Y. Yan, F. L. Gu, and Y. Aoki
- Organizer
  第６回分子科学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] A theoretical study on electronic structures of heteronanotubes by elongation method2012
- Author(s)
  R. Tsutsui, K. Liu, Y. Orimoto, F. L. Gu, and Y. Aoki
- Organizer
  第６回分子科学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Theoretical study of the solvent effects on functional donor-nanowire-acceptor systems by Elongation method with polarized continuum model2012
- Author(s)
  H. Yang, Y. Orimoto, F. L. Gu, and Y. Aoki
- Organizer
  28th Symposium on Chemical Kinetics and Dynamics
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Development of elongation optimization method and local vibrational analysis2012
- Author(s)
  Y. Aoki, K. Liu, Y. Yan, Y. Orimoto, and F. L. Gu
- Organizer
  第６回分子科学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Efficient serach for optimized geometry of whole system by elongation local optimization method2012
- Author(s)
  K. Liu, Y. Orimoto, F. L. Gu, and Y. Aoki
- Organizer
  第６回分子科学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] High-efficient DNA electronic structure analysis by ab initio elongation method2012
- Author(s)
  Y. Orimoto, P. Xie, K. Liu, F. L. Gu, and Y. Aoki
- Organizer
  第６回分子科学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Highly accurate linear scaling method-elongation method-and its applications to large systems2011
- Author(s)
  Y. Aoki, K. Liu and F. L. Gu
- Organizer
  ISTCP-VII
- Place of Presentation
  東京
- Year and Date
  2011-09-06
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] NLO analysis of ladder-structure polydiacetylenes derivatives2011
- Author(s)
  L.Z.Kang, F.L.Gu, Y.Aoki
- Organizer
  The 3rd Aisan Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-20
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Molecular Design for Donor-Nanowire-Acceptor Photoelectric Conversion Materials by Using Elongation Method2011
- Author(s)
  H. Yang, O. Lododa, F. L. Gu and Y. Aoki
- Organizer
  The 3rd Asian Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] An Efficient Quantum Chemical Approach of Functional Donor-Nanowire-Acceptor Systems by Using Elongation Metho2011
- Author(s)
  H. Yang, F. L. Gu, and Y. Aoki
- Organizer
  The 13th Cross Straits Symposium
- Place of Presentation
  福岡
- Year and Date
  2011-11-24
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] NLO analysis of ladder-structure polydiacetylenes derivatives2011
- Author(s)
  L. Z. Kang, F. L. Gu and Y. Aoki
- Organizer
  The 3rd Asian Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-20
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Development of Elongation Geometry Optimization Method2011
- Author(s)
  L.kai, F.L.Gu, Y.Aoki
- Organizer
  The 3rd Aisan Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] A highly accurate 3D-elongation method for Bio Systems2011
- Author(s)
  Y. Aoki, F. L. Gu
- Organizer
  The 51st Sanibel Symposium
- Place of Presentation
  St. Simons Island(U. S. A)
- Year and Date
  2011-02-28
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Development of Elongation Geometry Optimization Method2011
- Author(s)
  L.kai, F.L.Gu, Y.Aoki
- Organizer
  The 3rd Aisan Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Conductivity Analysis of DNA2011
- Author(s)
  X. Zhu, F. L. Gu and Y. Aoki
- Organizer
  The 3rd Asian Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Molecular design for donor-nanowire-acceptor photoelectric conversion materials by using elongation method2011
- Author(s)
  H.Yang, O.Lododa, F.L.Gu, Y.Aoki
- Organizer
  The 3rd Aisan Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] NLO analysis of ladder-structure polydiacetylenes derivatives2011
- Author(s)
  L.Z.Kang, F.L.Gu, Y.Aoki
- Organizer
  The 3rd Aisan Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-20
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Highly accurate linear scaling method-elongation method- and its applications to large systems2011
- Author(s)
  Y.Aoki, K.Liu, F.L.Gu
- Organizer
  ISTCP-VII
- Place of Presentation
  東京
- Year and Date
  2011-09-06
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Conductivity Analysis of DNA2011
- Author(s)
  X.Peng, F.L.Gu, Y.Aoki
- Organizer
  The 3rd Aisan Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Highly accurate linear scaling method-elongation method- and its applications to large systems2011
- Author(s)
  Y.Aoki, K.Liu, F.L.Gu
- Organizer
  ISTCP-VII
- Place of Presentation
  東京
- Year and Date
  2011-09-06
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Molecular design for donor-nanowire-acceptor photoelectric conversion materials by using elongation method2011
- Author(s)
  H.Yang, O.Lododa, F.L.Gu, Y.Aoki
- Organizer
  The 3rd Aisan Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Organic Ferromagnetic Materials Design with High-spin Stability Index by Quantum Chemical Approach2011
- Author(s)
  X.Zhu, F.L.Gu, Y.Aoki
- Organizer
  The 3rd Aisan Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-23245005
[Presentation] Development of Elongation Geometry Optimization Method2011
- Author(s)
  K. Liu, F. L. Gu and Y. Aoki
- Organizer
  The 3rd Asian Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Organic Ferromagnetic Materials Design with High-spin Stability Index by Quantum Chemical Approach2011
- Author(s)
  X.Zhu, F.L.Gu, Y.Aoki
- Organizer
  The 3rd Aisan Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Conductivity Analysis of DNA2011
- Author(s)
  X.Peng, F.L.Gu, Y.Aoki
- Organizer
  The 3rd Aisan Symposium on Advanced Materials
- Place of Presentation
  福岡
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] A highly accurate 3D-elongation method for Bio Systems2011
- Author(s)
  Y.Aoki, F.L.Gu
- Organizer
  The 51st Sanibel Symposium
- Place of Presentation
  St.Simons Island (U.S.A)
- Year and Date
  2011-02-28
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 高精度Linear-caling-ELG法の開発と巨大系への応用2010
- Author(s)
  青木百合子, F.L.Gu
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪
- Year and Date
  2010-09-14
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Highly Accurate O(N) quantum chemical approach for DNA electron transfer and optical property analysis2010
- Author(s)
  Y. Aoki, P. Xie, A. Imamura, F. L. Gu
- Organizer
  Pacifichem 2010
- Place of Presentation
  Honolulu(U. S. A)
- Year and Date
  2010-12-18
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Highly Accurate O(N) quantum chemical approach for DNA electron transfer and optical property analysis2010
- Author(s)
  Y.Aoki, P.Xie, A.Imamura, F.L.Gu
- Organizer
  Pacifichem 2010
- Place of Presentation
  KoKo Crater (Sheraton Waikiki)
- Year and Date
  2010-12-18
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Proposal of linear scaling ELG-LMP2 method for conjugated polymers, organic materials, and biosystems2010
- Author(s)
  F.L.Gu, M.Makowski, J.Korchowiec, K.Liu, Y.Aoki
- Organizer
  Pacifichem 2010
- Place of Presentation
  KoKo Crater (Sheraton Waikiki)
- Year and Date
  2010-12-16
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Gu, Elongation method at Hartree-Fock and post Hartree-Fock levels for its applications to 1D-3D large systems2010
- Author(s)
  Y. Aoki, M. Makowski, O. Loboda, K. Liu, F. L. Gu
- Organizer
  Pacifichem 2010
- Place of Presentation
  Honolulu(U. S. A)
- Year and Date
  2010-12-20
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] 高精度Linear-scaling-ELG法の開発と巨大系への応用2010
- Author(s)
  青木百合子, F. L. Gu
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪
- Year and Date
  2010-09-14
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Elongation method at Hartree-Fock and post Hartree-Fock levels for its applications to 1D-3D large systems2010
- Author(s)
  Y.Aoki, M.Makowski, O.Loboda, K.Liu, F.L.Gu
- Organizer
  Pacifichem 2010
- Place of Presentation
  KoKo Crater (Sheraton Waikiki)
- Year and Date
  2010-12-20
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Highly Accurate O(N) quantum chemical approach for DNA electron transfer and optical property analysis2010
- Author(s)
  Y.Aoki, P.Xie, A.Imamura, F.L.Gu
- Organizer
  Pacifichem 2010
- Place of Presentation
  Honolulu (U.S.A)
- Year and Date
  2010-12-18
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] ナノチューブ、フラーレン-ポルフィリンワイヤ系の高精度電子状態とNLO特性2010
- Author(s)
  O.Loboda, F.L.Gu, M.Makowski, K.Liu, 青木百合子
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪
- Year and Date
  2010-09-15
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] 巨大生体分子の効率的超高精度電子状態計算2010
- Author(s)
  K.Liu, F.L.Gu, M.Makowski, O.Loboda, 青木百合子
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪
- Year and Date
  2010-09-15
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 巨大生体分子の効率的超高精度電子状態計算2010
- Author(s)
  K. Liu, F. L. Gu, M. Makowski, O. Loboda,青木百合子
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪
- Year and Date
  2010-09-15
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Proposal of linear scaling ELG-LMP2 method for conjugated polymers, organic materials, and biosystems2010
- Author(s)
  F.L.Gu, M.Makowski, J.Korchowiec, K.Liu, Y.Aoki
- Organizer
  Pacifichem 2010
- Place of Presentation
  KoKo Crater (Sheraton Waikiki)
- Year and Date
  2010-12-16
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] ナノチューブ、フラーレン-ポルフィリンワイヤ系の高精度電子状態とNLO特性2010
- Author(s)
  O.Loboda, F.L.Gu, M.Makowski, K.Liu, 青木百合子
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪
- Year and Date
  2010-09-15
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Elongation method at Hartree-Fock and post Hartree-Fock levels for its applications to 1D-3D large systems2010
- Author(s)
  Y.Aoki, M.Makowski, O.Loboda, K.Liu, F.L.Gu
- Organizer
  Pacifichem 2010
- Place of Presentation
  Honolulu (U.S.A)
- Year and Date
  2010-12-20
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 高精度Linear-scaling-ELG法の開発と巨大系への応用2010
- Author(s)
  青木百合子, F.L.Gu
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪
- Year and Date
  2010-09-14
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Proposal of linear scaling ELG-LMP2 method for conjugated polymers, organic materials, and biosystems2010
- Author(s)
  F.L.Gu, M.Makowski, J.Korchowiec, K.Liu, Y.Aoki
- Organizer
  Pacifichem 2010
- Place of Presentation
  Honolulu (U.S.A)
- Year and Date
  2010-12-16
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Proposal of linear scaling ELG-LMP2 method for conjugated polymers2010
- Author(s)
  F. L. Gu, M. Makowski, J. Korchowiec, K. Liu, Y. Aoki
- Organizer
  organic materials, and biosystems, Pacifichem 2010
- Place of Presentation
  Honolulu(U. S. A)
- Year and Date
  2010-12-16
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Highly Accurate O(N) quantum chemical approach for DNA electron transfer and optical property analysis2010
- Author(s)
  Y.Aoki, P.Xie, A.Imamura, F.L.Gu
- Organizer
  Pacifichem 2010
- Place of Presentation
  KoKo Crater (Sheraton Waikiki)
- Year and Date
  2010-12-18
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Elongation method at Hartree-Fock and post Hartree-Fock levels for its applications to 1D-3D large systems2010
- Author(s)
  Y.Aoki, M.Makowski, O.Loboda, K.Liu, F.L.Gu
- Organizer
  Pacifichem 2010
- Place of Presentation
  KoKo Crater (Sheraton Waikiki)
- Year and Date
  2010-12-20
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Elongation Method for Linear Scaling2009
- Author(s)
  Y.Aoki, F.L.Gu
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009)
- Place of Presentation
  Rhodes(Greece)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Elongation法による擬一次元架橋金属錯体モデルの物性計算2009
- Author(s)
  田坂清次, 吉澤輝高, F.L.Gu, 青木百合子
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Year and Date
  2009-09-23
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 物質設計のための二・三次元系用Generalized Elongation法の開発2009
- Author(s)
  青木百合子, F. L. Gu
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Year and Date
  2009-09-22
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Elongation Method for Linear Scaling2009
- Author(s)
  Y.Aoki, F.L.Gu
- Organizer
  International Conference of Comuptational Methods in Scienes and Engineering(ICCMSE 2009)
- Place of Presentation
  ロードス(ギリシャ)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 相対論的Elongation法による重原子を含む大規模一次元系の物性計算2009
- Author(s)
  吉澤輝高, F.L.Gu, 青木百合子
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Year and Date
  2009-09-22
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 物質設計のための二・三次元系用Generalized Elongation法の開発2009
- Author(s)
  青木百合子, F.L.Gu
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Year and Date
  2009-09-22
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Efficient algorithm for computing orbital energies within elongation method2009
- Author(s)
  O.Loboda, F.L.Gu, A.Pomogaeva, M.Makowski, Y.Aoki
- Organizer
  International Conference of Comuptational Methods in Scienes and Engineering(ICCMSE 2009)
- Place of Presentation
  ロードス(ギリシャ)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 絡み合い高分子系に向けた超効率的量子化学計算2009
- Author(s)
  青木百合子, F. L. Gu
- Organizer
  第58回高分子討論会
- Place of Presentation
  熊本
- Year and Date
  2009-09-16
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Generalized Elongation Method : From One-Dimension to Three-Dimension2009
- Author(s)
  Y.Aoki, F.L.Gu
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009)
- Place of Presentation
  ロードス(ギリシャ)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Band Structure of Polymer Extracted from Oligomer Calculations by Elongation Method and Its Applications to Nanosystems2009
- Author(s)
  A.Pomogaeva, M.Springborg, B.Kirtman, F.L.Gu, Y.Aoki
- Organizer
  International Conference of Comuptational Methods in Scienes and Engineering(ICCMSE 2009)
- Place of Presentation
  ロードス(ギリシャ)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Generalized Elongation Method : From One-Dimension to Three-Dimension2009
- Author(s)
  Y.Aoki, F.L.Gu
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2009 (ICCMSE 2009)
- Place of Presentation
  Rhodes(Greece)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Efficient algorithm for computing orbital energies within elongation method2009
- Author(s)
  O. Loboda, F. L. Gu, A. Pomogaeva, M. Makowski, and Y. Aoki
- Organizer
  International Conference of Computational Methods in Sciences and Engineering(ICCMSE 2009
- Place of Presentation
  Rhodes(Greece)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Efficient algorithm for computing orbital energies within elongation method2009
- Author(s)
  O.Loboda, F.L.Gu, A.Pomogaeva, M.Makowski, Y.Aoki
- Organizer
  International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2009)
- Place of Presentation
  Rhodes(Greece)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Elongation法による有限鎖からの超効率的バンド構造抽出と共役分子ワイヤ系への応用2009
- Author(s)
  A. Pomogaeva, L. K. Yan, F. L. Gu,青木百合子
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Year and Date
  2009-09-23
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Generalized Elongation Method : From One-Dimension to Three-Dimension2009
- Author(s)
  Y. Aoki and F. L. Gu
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009)
- Place of Presentation
  Rhodes(Greece)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Elongation Method for Linear Scaling2009
- Author(s)
  Y. Aoki and F. L. Gu
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009)
- Place of Presentation
  Rhodes(Greece)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Elongation法による有限鎖からの超効率的バンド構造抽出と共役分子ワイヤ系への応用2009
- Author(s)
  A.Pomogaeva, L.K.Yan, F.L.Gu, 青木百合子
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Year and Date
  2009-09-23
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 物質設計のための二・三次元系用 Generalized Elongation 法の開発2009
- Author(s)
  青木百合子, F.L.Gu
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Year and Date
  2009-09-22
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Elongation-TDHF法の開発と大規模一次元系への応用2009
- Author(s)
  F.L.Gu, 吉澤輝高, 青木百合子
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Year and Date
  2009-09-23
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Generalized Elongation Method : From One-Dimension to Three-Dimension2009
- Author(s)
  Y. Aoki, F. L. Gu
- Organizer
  International Conference of Computational Methods in Sciences and Engineering : Theory and Computation : Old Problems and New Challenge
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 物質設計のための二・三次元系用Generahzed Elongation法の開発2009
- Author(s)
  青木百合子, F.L.Gu
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Year and Date
  2009-09-22
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Elongation-TDHF法の開発と大規模一次元系への応用2009
- Author(s)
  F. L. Gu,吉澤輝高,青木百合子
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Year and Date
  2009-09-23
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] Band Structure of Polymer Extracted from Oligomer Calculations by Elongation Method and Its Applications to Nanosystems2009
- Author(s)
  A.Pomogaeva, M.Springborg, B.Kirtman, F.L.Gu, Y.Aoki
- Organizer
  International Conference of Comuptational Methods in Scienes and Engineering (ICCMSE 2009)
- Place of Presentation
  Rhodes(Greece)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 絡み合い高分子系に向けた超効率的量子化学計算2009
- Author(s)
  青木百合子, F.L.Gu
- Organizer
  第58回高分子討論会
- Place of Presentation
  熊本
- Year and Date
  2009-09-16
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Band Structure of Polymer Extracted from Oligomer Calculations by Elongation Method and Its Applications to Nanosystems2009
- Author(s)
  A. Pomogaeva, M. Springborg, B. Kirtman, F. L. Gu, and Y. Aoki
- Organizer
  International Conference of Computational Methods in Sciences and Engineering(ICCMSE 2009)
- Place of Presentation
  Rhodes(Greece)
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-21655007
[Presentation] A new strategy to design nonlinear optical materials2008
- Author(s)
  F. L. Gu, Y. Aoki, Z. -R. Li
- Organizer
  Current Trends in Theoretical Chemistry V (CTTC V)
- Place of Presentation
  クラクフ(ポーランド)
- Year and Date
  2008-07-07
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Generalized Elongation 法の開発と応用2008
- Author(s)
  F.L.Gu, Y.L.Ren, 青木百合子
- Organizer
  第2回分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] O(N) Quantum Chemistry Approach to Gigantic Systems by the Elongation Method2008
- Author(s)
  Y.Aoki, F.L.Gu, M.Makowski, J.Korchowiec
- Organizer
  Current Trends in Theoretical Chemistry V (CTTC V)
- Place of Presentation
  Krakow (Poland)
- Year and Date
  2008-07-09
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Efficient band structure construction for composite BxCyNz nanotubes2008
- Author(s)
  A.Pomogaeva, B.Kirtman, F.L.Gu, Y.Aoki
- Organizer
  The 10th Cross Straits Symposium (CSS-10)
- Place of Presentation
  福岡
- Year and Date
  2008-11-13
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Investigation on Nonlinear Optical Properties of Ladder-structure Polydiacetylenes Derivatives by Using the Elongation Finite-Field Method2008
- Author(s)
  W. Chen, G. -T. Yu, Y. Orimoto, F. L. Gu, Y. Aoki
- Organizer
  Chinese Chemical Society 2008(CCS 2008)
- Place of Presentation
  天津(中国)
- Year and Date
  2008-07-15
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Elongation法を用いた高分子内過剰電子移動による非線形光学特性解析2008
- Author(s)
  G. -T. Yu, W. Chen, F. L. Gu, 青木百合子
- Organizer
  第2回分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-27
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 0(N) Quantum Chemistry Approach to Gigantic Systems by the Elongation Method2008
- Author(s)
  Y. Aoki, F. L. Gu, M. Makowski, J. Korchowiec
- Organizer
  Current Trends in Theoretical Chemistry V(CTTC V)
- Place of Presentation
  クラクフ(ポーランド)
- Year and Date
  2008-07-09
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Elongation cutoff technique : an efficient sparse matrix algebra approach to linear scaling2008
- Author(s)
  J.Lewandowski, M.Makowski, J.Korchowiec, Y.Aoki, F.L.Gu
- Organizer
  Current Trends in Theoretical Chemistry V (CTTC V)
- Place of Presentation
  Krakow (Poland)
- Year and Date
  2008-07-07
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Generalized Elongation法の開発と応用2008
- Author(s)
  F. L. Gu, Y. L. Ren, 青木百合子
- Organizer
  第2回分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Theoretical Study on Static (Hyper) polarzabilities for Polymide by the Elongation Finite-Field Method2008
- Author(s)
  G. -T. Yu, W. Chen, Y. Orimoto, F. L. Gu, Y. Aoki
- Organizer
  Chinese Chemical Society 2008(CCS 2008)
- Place of Presentation
  天津(中国)
- Year and Date
  2008-07-14
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Elongation法によるドープされたBNナノチューブの電子状態と導電性・NLO特性2008
- Author(s)
  W. Chen, G. -T. Yu, A. Pomogaeva, F. L. Gu, 青木百合子
- Organizer
  第2回分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] ポルフィリン分子ワイヤーの効率的電子状態計算と伝導性・磁性・NLO特性2008
- Author(s)
  L. K. Yan, A. Pomogaeva, F. L. Gu, 青木百合子
- Organizer
  第2回分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Theoretical study on nonlinear optical properties of metalloporphyrin arrays by elongation method2008
- Author(s)
  L. K. Yan, A. Pomogaeva, F. L. Gu, Y. Aoki
- Organizer
  The 10th Cross Straits Symposium (CSS-1O)
- Place of Presentation
  福岡
- Year and Date
  2008-11-14
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] A Theoretical Study on the Nonlinear Optical Properties of π-Conjugated Porphyrin Arrays2008
- Author(s)
  L. K. Yan, A. Pomogaeva, F. L. Gu, Y. Aoki
- Organizer
  Theory and Applications of Computational Chemistry 2008 (TACC 2008)
- Place of Presentation
  上海(中国)
- Year and Date
  2008-09-26
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Elongation法を用いた電子スペクトル計算のためのMD法2008
- Author(s)
  V. Pomogaev, A. Pomogaeva, F. L. Gu, 青木百合子
- Organizer
  第2回分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Theoretical study on nonlinear optical properties of metalloporphyrin arrays by elongation method2008
- Author(s)
  L.K.Yan, A.Pomogaeva, F.L.Gu, Y.Aoki
- Organizer
  The 10th Cross Straits Symposium (CSS-10)
- Place of Presentation
  福岡
- Year and Date
  2008-11-14
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 一般化並列Elongation 法の開発とDNA・タンパク質への応用2008
- Author(s)
  Y.L.Ren, F.L.Gu, M.Makowski, J.Korchowviec, 青木百合子
- Organizer
  第2回分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-27
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 有限系から無限系バンド構造構築法と含重原子分子集合系への応用2008
- Author(s)
  A.Pomogaeva, F.L.Gu, B.Kirtman, 青木百合子
- Organizer
  第2回分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 一般化並列Elongation法の開発とDNA・タンパク質への応用2008
- Author(s)
  Y. L. Ren, F. L. Gu, M. Makowski, J. Korchowviec, 青木百合子
- Organizer
  第2回分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-27
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Elongation 法を用いた電子スペクトル計算のためのMD法2008
- Author(s)
  V.Pomogaev, A.Pomogaeva, F.L.Gu, 青木百合子
- Organizer
  第2回分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Elongation cutoff technique : an efficient sparse matrix algebra approach to linear scaling2008
- Author(s)
  J. Lewandowski, M. Makowski, J. Korchowiec, Y. Aoki, F. L. Gu
- Organizer
  Current Trends in Theoretical Chemistry V (CTTC V)
- Place of Presentation
  クラクフ(ポーランド)
- Year and Date
  2008-07-07
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Efficient band structure construction for composite BxCyNz nanotubes2008
- Author(s)
  A. Pomogaeva, B. Kirtman, F. L. Gu, Y. Aoki
- Organizer
  The 10th Cross Straits Symposium (CSS-1O)
- Place of Presentation
  福岡
- Year and Date
  2008-11-13
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 有限系電子状態からのab initioエネルギーバンドの構築と有機導体設計への応用2007
- Author(s)
  Pomogaeva Anna、Gu FengLong、Kirtman Bernard、青木百合子
- Organizer
  第1回分子科学討論会2007
- Place of Presentation
  仙台
- Year and Date
  2007-09-17
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] NLO material design of organic crystals by Elongation method2007
- Author(s)
  Y.Aoki, S.Ohnishi, F.L.Gu
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2007(ICCMSE 2007)
- Place of Presentation
  Corfu (Greece)
- Year and Date
  2007-09-29
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Band structure built from oligomer calculations by the elongation method2007
- Author(s)
  A.Pomogaeva, F.L.Gu, B.Kirtman, Y.Aoki
- Organizer
  VIII International Conference ATOMIC AND MOLECULAR PULSED LASERS (AMPL 2007)
- Place of Presentation
  Tomsk (Russia)
- Year and Date
  2007-09-10
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Elongation法による巨大系の計算-DNAの導電性解析2007
- Author(s)
  青木百合子、折本裕一、Gu FengLong
- Organizer
  第1回分子科学討論会2007
- Place of Presentation
  仙台
- Year and Date
  2007-09-18
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 高分子の超効率的電子状態計算法-Elongation 法-の開発2007
- Author(s)
  青木百合子、大西真一、折本裕一、Gu Feng Long
- Organizer
  第56回高分子学会年次大会
- Place of Presentation
  京都
- Year and Date
  2007-05-30
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Band structure Calculations For Quasi-one-Dimensional Systems By The Elongation Method2007
- Author(s)
  A.Pomogaeva, B.Kirtman, F.L.Gu, Y.Aoki
- Organizer
  9th Cross Straits Symposium on Materioals, Energy and Environmental Engineering (CSS9)
- Place of Presentation
  Pohang (Korea)
- Year and Date
  2007-11-21
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] Band Structure of Polymer Extracted from Oligomer Calculations2007
- Author(s)
  A.Pomogaeva, F.L.Gu, B.Kirtman, Y.Aoki
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2007(ICCMSE 2007)
- Place of Presentation
  Corfu (Greece)
- Year and Date
  2007-09-26
- Data Source
  KAKENHI-PROJECT-19350012
[Presentation] 局所状態密度の高速演算によるDNA・有機高分子材料の効率的機能設計2007
- Author(s)
  折本裕一、Gu Feng Long、青木百合子
- Organizer
  第56回高分子学会年次大会
- Place of Presentation
  京都
- Year and Date
  2007-05-30
- Data Source
  KAKENHI-PROJECT-19350012

1. AOKI Yuriko (10211690)

# of Collaborated Projects: 4 results

# of Collaborated Products: 217 results
2. IMAMURA Akira (70076991)

# of Collaborated Projects: 4 results

# of Collaborated Products: 19 results
3. MAKOWSKI Marcin (90404045)

# of Collaborated Projects: 4 results

# of Collaborated Products: 42 results
4. KORCHOWIEC Jacek

# of Collaborated Projects: 3 results

# of Collaborated Products: 27 results
5. NAKA Kazunari (30314727)

# of Collaborated Projects: 2 results

# of Collaborated Products: 2 results
6. REN Yanliang

# of Collaborated Projects: 2 results

# of Collaborated Products: 4 results
7. KIRTMAN Bernard

# of Collaborated Projects: 2 results

# of Collaborated Products: 24 results
8. TAKEDA Kunio (10113193)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. 茂木孝一 (30304835)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. WAN Jian

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
11. Orimoto Yuuichi

# of Collaborated Projects: 1 results

# of Collaborated Products: 7 results
12. KIRTMAN Bernie

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
13. CHAMPAGNE Benoît

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
14. SPRINGBORG Michael

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
15. LOBODA Oleksandr

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results

GU Feng Long

FENG・LONG Gu フェン・ロン グ

Research Projects

Research Products

Co-Researchers

Quantum chemistry method with electron correlation effect for the analysis of the cooperative molecular recognition process in DNA

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Highly accurate electronic states dynamics for mechanism analysis of electron and proton transfers in proteins

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Study on theoretical chemistry to the relationship between DNA sequence and electronic conductivity.

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Parallel synthesis method of the electronic structures for proteins/nucleic acids and the development of the analytic system of their structures and functions

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[Book] Calculations on Nonlinear Optical Properties for Large Systems:The Elongation Method2015

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[Book] Elongation Method for Delocalized Nano-wires2012

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[Book] Elongation Method for Delocalized Nano-wires2012

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[Book] Elongation Method for Delocalized Nano-wires2012

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[Book] Elongation Method for Delocalized Nano-wires2012

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[Book] Elongation method for large systems and its applications to bio-systems. Phys. Chem. Chem. Phys.,2012

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[Book] Elongation method and its applications to NLO materials, Chemical Modeling : Applications and Theory, Volume 7, ed by Springborg, Royal Society of Chemistry2010

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[Book] Elongation method and its applications to NLO materials, Chemical Modeling : Applications and Theory, Volume 7, ed by Springborg, Royal Society of Chemistry2010

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[Book] Elongation Method : TOWARDS LINEAR SCALING FOR ELECTRONIC STRUCTURE OF RANDOM POLYMERS AND OTHER QUASILINEAR MATERIALS, Chemical Modelling Volume 7 ed by Manthos Papadopoulos2010

Author(s)

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Data Source

[Book] Elongation Method : TOWARDS LINEAR SCALING FOR ELECTRONIC STRUCTURE OF RANDOM POLYMERS AND OTHER QUASILINEAR MATERIALS, Chemical Modelling Volume 7 ed by Manthos Papadopoulos2010

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[Journal Article] Intermediate electrostatic field for the elongation method2014

Author(s)

Journal Title

Data Source

[Journal Article] Intermediate electrostatic field for the elongation method2014

Author(s)

Journal Title

FENG・LONG Gu フェン・ロング