XMVB 2.0: A new version of Xiamen Valence Bond program

International Journal of Quantum Chemistry

Volumn 115, Issue 11, 2015, Pages 731-737

  Chen, Zhenhua ^a   Ying, Fuming ^a   Chen, Xun ^a   Song, Jinshuai ^a   Su, Peifeng ^a   Song, Lingchun ^a   Mo, Yirong ^a,b   Zhang, Qianer ^a   Wu, Wei ^a  

^a XIAMEN UNIVERSITY   (China)

^b WESTERN MICHIGAN UNIVERSITY   (United States)

Author keywords

ab initio; nonorthogonal; program; valence bond theory

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; COMPUTATION THEORY; CONTINUUM MECHANICS; PERTURBATION TECHNIQUES; WAVE FUNCTIONS;

AB INITIO; EFFECTIVE FRAGMENT POTENTIALS; NON-ORTHOGONAL; NONORTHOGONAL ORBITALS; POLARIZABLE CONTINUUM MODEL; PROGRAM; SECOND ORDER PERTURBATION THEORY; VALENCE BOND THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 84927635248     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24855     Document Type: Article

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