Basis set superposition error free self-consistent field method for molecular interaction in multi-component systems: Projection operator formalism

Journal of Chemical Physics

Volumn 115, Issue 8, 2001, Pages 3553-3560

  Nagata, T ^a   Takahashi, O ^a   Saito, K ^a   Iwata, S ^a  

^a National Institution for Academic Degrees and University Evaluation Tokyo   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; CHARGE TRANSFER; DIMERS; FLUORINE; HYDROGEN BONDS; INTEGRAL EQUATIONS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PHASE COMPOSITION; SET THEORY; WATER;

APPROXIMATE EQUATIONS; BASIS SET SUPERPOSITION ERROR; MULTICOMPONENT SYSTEMS; PROJECTION OPERATORS; WAVE FUNCTION;

MOLECULAR PHYSICS;

EID: 0035934135     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1388039     Document Type: Article

References (27)