Time-dependent density functional theory for polycyclic aromatic hydrocarbon anions: What is the best approach

Chemical Physics Letters

Volumn 409, Issue 4-6, 2005, Pages 235-239

  Bauschlicher Jr , Charles W ^a  

^a NASA AMES RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFUSION; ELECTRON ENERGY LEVELS; EXTRAPOLATION; INFRARED RADIATION; MOLECULAR VIBRATIONS; NEGATIVE IONS; SOLUTIONS; ULTRAVIOLET RADIATION;

ELECTRONIC TRANSITION ENERGIES; EXCITATION ENERGIES; INTERSTELLAR MEDIUM; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TD-DFT); VIBRATIONAL FREQUENCIES;

POLYCYCLIC AROMATIC HYDROCARBONS;

EID: 20444494370     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.05.031     Document Type: Article

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