Analytic energy gradients of the optimized effective potential method

Journal of Chemical Physics

Volumn 123, Issue 13, 2005, Pages

  Wu, Qin ^a   Cohen, Aron J ^a   Yang, Weitao ^a  

^a DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ENERGY GRADIENTS;

GEOMETRY; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

BAND STRUCTURE;

EID: 26444442418     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1989310     Document Type: Article

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