Three-center nuclear attraction, three-center two-electron Coulomb and hybrid integrals over B functions evaluated using the nonlinear SD̄ transformation

International Journal of Quantum Chemistry

Volumn 90, Issue 1, 2002, Pages 119-135

  Safouhi, Hassan ^a   Hoggan, Philip ^b  

^a UNIVERSITY OF ALBERTA   (Canada)

^b UNIVERSITÉ CLERMONT AUVERGNE   (France)

Author keywords

B functions; HD and HD methods; Molecular multicenter integrals; Nonlinear D and D transformations; Nonlinear SD transformation; Slater type orbitals

Indexed keywords

ATOMS; CONVERGENCE OF NUMERICAL METHODS; FOURIER TRANSFORMS; FUNCTIONS; MOLECULAR STRUCTURE;

MOLECULAR MULTICENTER INTEGRALS;

ELECTRON ENERGY LEVELS;

EID: 0037026963     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.962     Document Type: Article

References (47)

1. The HD and HD̄ methods for accelerating the convergence of three-center nuclear attraction and four-center two-electron Coulomb integrals over B functions and their convergence properties
2. Numerical evaluation of three-centre two-electron Coulomb and hybrid integrals over B functions using the HD and HD̄ methods and convergence properties