Charge-resonance excitations in symmetric molecules - Comparison of linear response DFT with CC3 for the excited states of a model dimer

Chemical Physics Letters

Volumn 478, Issue 4-6, 2009, Pages 127-131

  Kuhlman, Thomas S ^a   Mikkelsen, Kurt V ^a   Møller, Klaus B ^b   Sølling, Theis I ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

B3LYP FUNCTIONALS; ETHYLENE DIMER; LINEAR RESPONSE; PENTACENES; RESONANCE EXCITATION; RESONANCE STATE; SYMMETRIC MOLECULES;

ASSOCIATIVE STORAGE; CAMS; ETHYLENE; EXCITED STATES; PROBABILITY DENSITY FUNCTION; RESONANCE;

DENSITY FUNCTIONAL THEORY;

EID: 68949118058     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.07.067     Document Type: Article

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