Importance of chain-chain interactions on the band gap of trans-polyacetylene as predicted by second-order perturbation theory

Journal of Chemical Physics

Volumn 121, Issue 16, 2004, Pages 8113-8119

  Pino, Ramiro ^a   Scuseria, Gustavo E ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAND GAPS; PERTURBATION THEORY; POLYMER CHAINS; TWO-DIMENSIONAL CRYSTALS;

BOUNDARY CONDITIONS; CORRELATION METHODS; CRYSTALS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; INTEGRATION; LAPLACE TRANSFORMS; LATTICE CONSTANTS; OPTIMIZATION; PERTURBATION TECHNIQUES; VAN DER WAALS FORCES;

POLYACETYLENES;

EID: 8444231702     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1798991     Document Type: Article

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