New τ-dependent correlation functional combined with a modified Becke exchange

Journal of Chemical Physics

Volumn 113, Issue 22, 2000, Pages 10013-10027

  Proynov, E ^a   Chermette, H ^a,b   Salahub, D R ^c,d  

^a UNIVERSITY OF NAMUR   (Belgium)

^b UNIVERSITÉ LYON 1   (France)

^c UNIVERSITÉ DE MONTRÉAL   (Canada)

^d NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CORRELATION METHODS; HYDROGEN BONDS; KINETIC ENERGY; LAPLACE TRANSFORMS; MATHEMATICAL MODELS; PROTONS; THERMODYNAMICS;

BECKE EXCHANGE; KOHN-SHAM DENSITY FUNCTIONAL THEORY (KS-DFT); LOCAL SPIN DENSITY (LSD) APPROXIMATION;

ELECTRON GAS;

EID: 0034512596     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1321309     Document Type: Article

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