Excitation energies from time-dependent density functional theory for linear polyene oligomers: butadiene to decapentaene

Journal of Physical Chemistry A

Volumn 105, Issue 2, 2001, Pages 451-458

  Hsu, Chao Ping ^a   Hirata, So ^a,b   Head Gordon, Martin ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BUTADIENE; CALCULATIONS; ELECTRON TRANSITIONS; ELECTRONIC DENSITY OF STATES; GROUND STATE; MOLECULES; OLIGOMERS; PROBABILITY DENSITY FUNCTION;

CONFIGURATION INTERACTION SINGLES; DECAPENTAENE; EXCITATION ENERGIES; LINEAR POLYENE OLIGOMERS; TAMM-DANCOFF APPROXIMATION; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

POLYOLEFINS;

EID: 0035131725     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0024367     Document Type: Article

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