Band-gap calculations for squarelene-based polymers

Synthetic Metals

Volumn 85, Issue 1-3, 1997, Pages 1153-1154

  Duan, Xiaofeng ^a   Kawai, Ryoichi ^b   Yeates, Alan T ^d   Dudis, Douglas S ^c  

^a Curtiss Wright Controls Inc   (United States)

^b UNIVERSITY OF ALABAMA AT BIRMINGHAM   (United States)

^c WRIGHT PATTERSON AIR FORCE BASE   (United States)

^d NONE

Author keywords

Ab initio quantum chemical methods and calculations; Heterocycle synthesis; Low bandgap conjugated polymers; Semi empirical models and model calculations

Indexed keywords

COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; ENERGY GAP; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; ORGANIC CONDUCTORS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS;

EXTENDED HUCKEL THEORY (ETH); FUSED THIOPHENES; HARTREE FOCK THEORY (HF); MOLLER PLESSET PERTURBATION; SQUARELENE POLYMERS;

OLIGOMERS;

EID: 0031074473     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0379-6779(97)80191-9     Document Type: Article

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