Efficient method for calculating molecular excitation energies by time-dependent density-functional theory

Journal of Chemical Physics

Volumn 113, Issue 6, 2000, Pages 2088-2099

  Heinze, Habbo H ^a   Görling, Andreas ^a   Rösch, Notker ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CARRIER CONCENTRATION; COMPUTATIONAL COMPLEXITY; GROUND STATE; MATHEMATICAL MODELS; NAPHTHALENE; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

AUXILIARY BASIS SET; COUPLED KOHN-SHAM EQUATION (CKS); MOLECULAR EXCITATION ENERGIES; TIME DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT); VALANCE EXCITATION SPECTRUM;

MOLECULAR PHYSICS;

EID: 0034245554     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.482020     Document Type: Article

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