Computational quantum chemistry in terms of multicenter Slater-type orbitals: Entirely numerical procedure for the accurate evaluation of the basic integrals

International Journal of Quantum Chemistry

Volumn 93, Issue 2, 2003, Pages 59-71

  Guidotti, C ^a   Salvetti, O ^a   Durante, N ^b   Lamanna, U T ^c,d   Arrighini, G P ^a  

^a UNIVERSITY OF PISA   (Italy)

^b AREA DELLA RICERCA   (Italy)

^c UNIVERSITY OF BARI   (Italy)

^d CNR   (Italy)

Author keywords

Calculation of multicenter two electron integrals by numerical quadrature; Computational quantum chemistry in terms of Slater type orbitals; Four and three center two electron integrals; General computational methods in quantum chemistry; Two electron integrals and Slater orbitals

Indexed keywords

CALCULATIONS; COMPUTATIONAL METHODS; INTEGRAL EQUATIONS; MATHEMATICAL MODELS; MOLECULAR PHYSICS; NONLINEAR EQUATIONS;

MULTICENTER SLATER-TYPE ORBITALS; NONLINEAR MOLECULAR GEOMETRIES; QUANTUM CHEMISTRY; QUANTUM NUMBER; STRATEGIC PROGRAM ORGANIZATION;

QUANTUM THEORY;

EID: 0037960320     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10537     Document Type: Article

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