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Journal of Molecular Structure: THEOCHEM

Volumn 430, Issue 1-3, 1998, Pages 73-84

Energy bands and bond alternation potential in poly(para-phenylene vinylene): A comparative ab initio quantum chemical and density functional theory study

(3) Förner, Wolfgang a,b Bogar, Ferenc b,c Knab, Reinhard b

a KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (Saudi Arabia)

b UNIVERSITY OF ERLANGEN NUREMBERG (Germany)

c UNIVERSITY OF SZEGED (Hungary)

Author keywords

Ab initio; DFT; Local density approximation; Poly(para phenylene vinylene)

Indexed keywords

EID: 0038309686 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(98)90219-6 Document Type: Article

Times cited : (7)

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