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Journal of Chemical Physics

Volumn 115, Issue 18, 2001, Pages 8267-8273

A new implementation of four-component relativistic density functional method for heavy-atom polyatomic systems

(5) Yanai, Takeshi a Iikura, Hisayoshi a Nakajima, Takahito a Ishikawa, Yasuyuki b Hirao, Kimihiko a

a UNIVERSITY OF TOKYO (Japan)

b UNIVERSITY OF PUERTO RICO RIO PIEDRAS (Puerto Rico)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONS; HAMILTONIANS; MATHEMATICAL OPERATORS; PROBABILITY DENSITY FUNCTION;

POLYATOMIC SYSTEMS;

GROUND STATE;

EID: 0035829630 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1412252 Document Type: Article

Times cited : (71)

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