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Journal of Chemical Physics

Volumn 116, Issue 4, 2002, Pages 1250-1258

Combining multideterminantal wave functions with density functionals to handle near-degeneracy in atoms and molecules

(4) Pollet, R a Savin, A a Leininger, T b Stoll, H c

a LABORATOIRE DE CHIMIE THÉORIQUE (France)

b CNRS (France)

c UNIVERSITY OF STUTTGART (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CHEMICAL BONDS; DIMERS; GROUND STATE; HYDRIDES; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS; MOLECULES; NUMERICAL ANALYSIS; PROBABILITY DENSITY FUNCTION;

CONFIGURATION INTERACTION; CONFIGURATION STATE FUNCTIONS; DENSITY FUNCTIONAL THEORY; LOCAL DENSITY APPROXIMATION; WAVE FUNCTIONS;

MOLECULAR DYNAMICS;

EID: 0037154354 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1430739 Document Type: Article

Times cited : (163)

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