GEN1INT: A unified procedure for the evaluation of one-electron integrals over Gaussian basis functions and their geometric derivatives

International Journal of Quantum Chemistry

Volumn 111, Issue 4, 2011, Pages 858-872

  Gao, Bin ^a   Thorvaldsen, Andreas J ^a   Ruud, Kenneth ^a  

^a UNIVERSITY OF TROMSØ   (Norway)

Author keywords

Gaussian integrals; molecular properties; response theory

Indexed keywords

BASIS FUNCTIONS; CENTRAL POTENTIALS; COMPUTATIONAL SCHEMES; DIRAC DELTA FUNCTION; ELECTRON OPERATORS; ELECTRONIC DIFFERENTIAL; GAUSSIAN BASIS FUNCTIONS; GAUSSIAN INTEGRAL; GEOMETRIC DERIVATIVES; HERMITE-GAUSSIAN FUNCTION; HIGHER ORDER; MOLECULAR PROPERTIES; MULTIPOLE MOMENTS; ONE-ELECTRON PROPERTIES; QUASI-ENERGY; RESPONSE THEORY; UNIFIED PROCEDURES;

DELTA FUNCTIONS; ELECTRONS; GAUSSIAN DISTRIBUTION; GEOMETRY; MATHEMATICAL OPERATORS;

FUNCTION EVALUATION;

EID: 78650617746     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22886     Document Type: Article

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