A dual-level state-specific time-dependent density-functional theory

Journal of Computational Chemistry

Volumn 29, Issue 8, 2008, Pages 1187-1197

  Tokura, Seiken ^a   Sato, Takeshi ^a   Tsuneda, Takao ^a   Nakajima, Takahito ^a   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

Dual level approach; Excitation energy; Excited state; State specific scheme; Time dependent density functional theory

Indexed keywords

ALGORITHMS; CHARGE TRANSFER; CHLOROPHYLL; EXCITATION ENERGY; EXCITED STATES;

CHLOROPHYLL A MOLECULES; DUAL LEVEL APPROACH; Q BANDS; ZINCBACTERIOCHLORIN-BACTERIOCHLORIN MODEL;

DENSITY FUNCTIONAL THEORY;

EID: 42649094435     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20871     Document Type: Article

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