Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach

Journal of Chemical Physics

Volumn 138, Issue 16, 2013, Pages

  Kowalczyk, Tim ^a,b   Tsuchimochi, Takashi ^a   Chen, Po Ta ^a,c   Top, Laken ^a   Van Voorhis, Troy ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b NAGOYA UNIVERSITY   (Japan)

^c NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

BORN-OPPENHEIMER MOLECULAR DYNAMICS; COMPUTATIONAL TOOLS; DENSITY FUNCTIONAL APPROXIMATIONS; EXCITED STATE STRUCTURES; RESTRICTED OPEN SHELL KOHN SHAMS; SINGLET EXCITED STATE; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VERTICAL EXCITATION ENERGY;

DENSITY FUNCTIONAL THEORY; EXCITATION ENERGY; EXCITED STATES;

MOLECULAR DYNAMICS;

MOLECULAR DYNAMICS; QUANTUM THEORY; ARTICLE;

MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY;

EID: 84877255054     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4801790     Document Type: Article

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