Feng Long Gu - researchr alias

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Viewing Publication 1 - 17 from 17

2020

Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene PhotoisomerizationLinfeng Ye, Chao Xu, Feng Long Gu, Chaoyuan Zhu. jcc, 41(7):635-645, 2020. [doi]

2019

2010

Elongation-CIS method: Describing excited states of large molecular systems in regionally localized molecular orbital basisMarcin Makowski, Feng Long Gu, Yuriko Aoki. jcmse, 10(3-6):473-481, 2010. [doi]

Describing electron correlation effects in the framework of the elongation method - Elongation-MP2: Formalism, implementation and efficiencyMarcin Makowski, Jacek Korchowiec, Feng Long Gu, Yuriko Aoki. jcc, 31(8):1733-1740, 2010. [doi]

Excess electron is trapped in a large single molecular cage C::60::F::60::Yin-Feng Wang, Zhi-Ru Li, Di Wu, Chia-Chung Sun, Feng Long Gu. jcc, 31(1):195-203, 2010. [doi]

+Bing-Qiang Wang, Fang-Fang Wang, Fang Ma, Zhi-Ru Li, Di Wu, Hong-Liang Xu, Feng Long Gu. jcmse, 10(3-6):357-366, 2010. [doi]

Theoretical study on nonlinear optical properties of the Li:::+:::[calix[4]pyrrole]Li:::-:::dimer, trimer and its polymer with diffuse excess electronsGuang-Tao Yu, Wei Chen, Feng Long Gu, Yuriko Aoki. jcc, 31(4):863-870, 2010. [doi]

2009

2006

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 crystalsFeng Long Gu, Maxime Guillaume, Edith Botek, Benoît Champagne, Frédéric Castet, Laurent Ducasse, Yuriko Aoki. jcmse, 6(1-4):171-188, 2006. [doi]

Elongation method for linear scaling SCF calculations of polymersJacek Korchowiec, Feng Long Gu, Yuriko Aoki. jcmse, 6(1-4):189-200, 2006. [doi]

Royal crown-shaped electride Li3-N3-Be containing two superatoms: New knowledge on aromaticityZhi-Ru Li, Fang-Fang Wang, Di Wu, Ying Li, Wei Chen, Xiao-Ying Sun, Feng Long Gu, Yuriko Aoki. jcc, 27(8):986-993, 2006. [doi]

Efficiency and accuracy of the elongation method as applied to the electronic structures of large systemsMarcin Makowski, Jacek Korchowiec, Feng Long Gu, Yuriko Aoki. jcc, 27(13):1603-1619, 2006. [doi]

1998

Structure and stability of B+13 clustersFeng Long Gu, Xiaomei Yang, Au-Chin Tang, Haijun Jiao, Paul von Ragué Schleyer. jcc, 19(2):203-214, 1998. [doi]

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