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Journal of Chemical Physics

Volumn 114, Issue 15, 2001, Pages 6526-6538

A new computational scheme for the Dirac-Hartree-Fock method employing an efficient integral algorithm

(4) Yanai, Takeshi a Nakajima, Takahito a Ishikawa, Yasuyuki b Hirao, Kimihiko a

a UNIVERSITY OF TOKYO (Japan)

b UNIVERSITY OF PUERTO RICO (Puerto Rico)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CALCULATIONS; INTEGRAL EQUATIONS; MOLECULES; NUMERICAL METHODS;

DIRAC-HARTREE-FOCK METHOD; ELECTRON REPULSION INTEGRAL; GAUSSIAN-TYPE SPINOR; MOLECULAR ORBITAL CALCULATION;

MOLECULAR STRUCTURE;

EID: 0035870721 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1356012 Document Type: Article

Times cited : (101)

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