PW86-PW91 density functional calculation of vertical ionization potentials: Some implications for present-day functionals

International Journal of Quantum Chemistry

Volumn 81, Issue 1, 2001, Pages 34-52

  Shapley, Warwick A ^a   Chong, Delano P ^a  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; GROUND STATE; IONIZATION OF SOLIDS; PROBABILITY DENSITY FUNCTION;

VERTICAL IONIZATION POTENTIALS (VIP);

MOLECULAR DYNAMICS;

EID: 0035155829     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-461X(2001)81:1<34::AID-QUA7>3.0.CO;2-8     Document Type: Article

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