Excitation energies in density functional theory: An evaluation and a diagnostic test

Journal of Chemical Physics

Volumn 128, Issue 4, 2008, Pages

  Peach, Michael J G ^a   Benfield, Peter ^a   Helgaker, Trygve ^a,b   Tozer, David J ^a  

^a DURHAM UNIVERSITY   (United Kingdom)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; RYDBERG STATES;

GENERALIZED GRADIENT APPROXIMATION (GGA); HYBRID FUNCTIONALS;

EXCITATION ENERGY;

EID: 38849133661     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2831900     Document Type: Article

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