An improved density matrix functional by physically motivated repulsive corrections

Journal of Chemical Physics

Volumn 122, Issue 20, 2005, Pages

  Gritsenko, Oleg ^a   Pernal, Katarzyna ^a,b   Baerends, Evert Jan ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b UNIVERSITY OF SZCZECIN   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC SYSTEMS; ELECTRON PAIR DENSITY; FREE-ELECTRON MOLECULES; PAIR DENSITY;

CORRELATION METHODS; DISSOCIATION; ELECTRONS; MATRIX ALGEBRA; POTENTIAL ENERGY; PROBABILITY;

QUANTUM THEORY;

EID: 20844432764     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1906203     Document Type: Article

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