The magnitude of pseudo-potential errors for density functional calculations

Chemical Physics Letters

Volumn 406, Issue 4-6, 2005, Pages 501-503

  Janfelt, Christian ^a   Jensen, Frank ^a  

^a UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION; COMPUTATIONAL METHODS; CORRELATION METHODS; ERRORS; EXTRAPOLATION; PROBABILITY DENSITY FUNCTION;

ATOMIZATION ENERGIES; CORE ELECTRONS; DENSITY FUNCTIONAL CALCULATIONS; PSEUDO-POTENTIAL ERRORS;

ELECTRONS;

EID: 16644366577     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.03.045     Document Type: Article

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