Long-range corrected hybrid functionals for π-conjugated systems: Dependence of the range-separation parameter on conjugation length

Journal of Chemical Physics

Volumn 135, Issue 20, 2011, Pages

  Körzdörfer, Thomas ^a   Sears, John S ^a   Sutton, Christopher ^a   Brédas, Jean Luc ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANE CHAINS; CHARACTERISTIC LENGTH; CONJUGATED CHAIN; CONJUGATED SYSTEMS; CONJUGATION LENGTH; DEFAULT VALUES; DEGREE OF CONJUGATIONS; EIGEN-VALUE; FUNCTIONALS; HYBRID FUNCTIONALS; MOLECULAR SYSTEMS; OLIGOTHIOPHENES;

DENSITY FUNCTIONAL THEORY; EIGENVALUES AND EIGENFUNCTIONS; IONIZATION OF SOLIDS; OLIGOMERS; OPTIMIZATION; PARAFFINS; SEPARATION;

IONIZATION POTENTIAL;

EID: 82555188423     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3663856     Document Type: Article

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