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The Journal of Chemical Physics|November 10, 2009
Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited statesJun Shen, Shuhua LiThe Journal of Chemical Physics|December 24, 2008
Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the implementation for low-lying excited statesTao Fang, Jun Shen, Shuhua LiThe Journal of Chemical Physics|June 17, 2008
Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the formula for general active spaces and its applications for multibond breaking systemsTao Fang, Jun Shen, Shuhua LiThe Journal of Chemical Physics|February 2, 2011
The coupled cluster approach with a hybrid treatment of connected triple excitations based on the restricted Hartree-Fock referenceJun Shen, Zhuangfei Kou, Enhua Xu, et al.The Journal of Chemical Physics|September 1, 2006
An efficient implementation of the "cluster-in-molecule" approach for local electron correlation calculationsShuhua Li, Jun Shen, Wei Li, et al.The Journal of Physical Chemistry. A|November 14, 2008
Performance of block correlated coupled cluster method with the CASSCF reference function for the prediction of activation barriers, spectroscopic constants in diatomic molecules, and singlet-triplet gaps in diradicalsJun Shen, Tao Fang, Shuhua Li, et al.The Journal of Chemical Physics|December 29, 2010
A coupled cluster approach with a hybrid treatment of connected triple excitations: implementation and applications for open-shell systemsJun Shen, Zhuangfei Kou, Enhua Xu, et al.The Journal of Chemical Physics|March 25, 2010
A coupled cluster approach with a hybrid treatment of connected triple excitations for bond-breaking potential energy surfacesJun Shen, Enhua Xu, Zhuangfei Kou, et al.The Journal of Chemical Physics|February 4, 2012
The coupled cluster singles, doubles, and a hybrid treatment of connected triples based on the split virtual orbitalsJun Shen, Zhuangfei Kou, Enhua Xu, et al.Physical Chemistry Chemical Physics : PCCP|March 31, 2011
New coupled cluster approaches based on the unrestricted Hartree-Fock reference for treating molecules with multireference characterJun Shen, Enhua Xu, Zhuangfei Kou, et al.Pageof 256