The magnitude of pseudo-potential errors for bond distances and vibrational frequencies

Chemical Physics Letters

Volumn 412, Issue 1-3, 2005, Pages 12-15

  Jensen, Frank ^a   Janfelt, Christian ^a  

^a UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL GEOMETRY; ELECTRONS; NATURAL FREQUENCIES; POLARIZATION; SET THEORY; VIBRATIONS (MECHANICAL);

BOND LENGTH; BOND STRENGTHS; SET CALCULATIONS; VIBRATIONAL FREQUENCY;

CHEMICAL BONDS;

EID: 23144454827     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.06.081     Document Type: Article

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