Variational collapse of the optimized effective potential method with an orbital-dependent exchange-correlation functional based on second order perturbation theory

Chemical Physics Letters

Volumn 432, Issue 1-3, 2006, Pages 336-342

  Rohr, Daniel ^a   Gritsenko, Oleg ^a   Baerends, Evert Jan ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

HELIUM; NUMERICAL METHODS; PERTURBATION TECHNIQUES;

FINITE ORBITAL BASIS; KOHN-SHAM (KS) POTENTIAL; OPTIMIZED EFFECTIVE POTENTIAL (OEP); SECOND-ORDER PERTURBATION THEORY (PT2);

MOLECULAR DYNAMICS;

EID: 33750939434     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.10.021     Document Type: Article

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