The accuracy of density functionals for electric field gradients. Test calculations for ScX, CuX and GaX (X=F, Cl, Br, I, H and Li)

Journal of Chemical Physics

Volumn 119, Issue 12, 2003, Pages 5988-5994

  Bast, Radovan ^a   Schwerdtfeger, Peter ^a  

^a UNIVERSITY OF AUCKLAND   (New Zealand)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC FIELD EFFECTS; MOSSBAUER SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; TRANSITION METALS;

ELECTRIC FIELD GRADIENTS;

ATOMIC PHYSICS;

EID: 0142026612     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1597674     Document Type: Article

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