Valence bond perturbation theory. A valence bond method that incorporates perturbation theory

Journal of Physical Chemistry A

Volumn 113, Issue 43, 2009, Pages 11560-11569

  Chen, Zhenhua ^a   Song, Jinshuai ^a   Shaik, Sason ^b   Hiberty, Philippe C ^c   Wu, Wei ^a  

^a XIAMEN UNIVERSITY   (China)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^c UNIVERSITÉ PARIS SUD   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; BOND ENERGIES; COMPUTATIONAL EFFORT; DENSITY MATRIX; FIRST-ORDER; FOCK MATRIX; FUNDAMENTAL STRUCTURES; HYDROGEN ABSTRACTION REACTION; PERTURBATION THEORY; POTENTIAL ENERGY CURVES; RESONANCE ENERGIES; SECOND ORDER PERTURBATION THEORY; STRUCTURAL WEIGHT; VALENCE BONDS; VALENCE-BOND METHOD; WATER MOLECULE;

HYDROGEN; IONIZATION OF LIQUIDS; POTENTIAL ENERGY; REACTION KINETICS; WAVE FUNCTIONS;

PERTURBATION TECHNIQUES;

EID: 70350432555     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp903011j     Document Type: Article

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