Assessment of the reliability of the Perdew-Burke-Ernzerhof functionals in the determination of torsional potentials in π-conjugated molecules

Chemical Physics Letters

Volumn 377, Issue 1-2, 2003, Pages 63-68

  Sancho Garcia J C ^a   Bredas J L ^a,b   Cornil, J ^a,b  

^a UNIVERSITY OF MONS   (Belgium)

^b University of Arizona   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTIC METHOD; ARTICLE; CONJUGATION; ENERGY; MOLECULE; PERDEW BURKE ERNZERHOF EXCHANGE CORRELATION; RELIABILITY; THEORY;

EID: 0141562165     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(03)01086-8     Document Type: Article

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