Quantum chemical ab initio calculations of correlation effects in complex polymers: Poly(para-phenylene)

Journal of Chemical Physics

Volumn 120, Issue 24, 2004, Pages 11910-11918

  Willnauer, Christa ^a   Birkenheuer, Uwe ^a  

^a MAX PLANCK INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CONVERGENCE OF NUMERICAL METHODS; CORRELATION METHODS; CRYSTAL STRUCTURE; CRYSTALLINE MATERIALS; GROUND STATE; HYDROGEN; LIGHT EMITTING DIODES; MATHEMATICAL MODELS; OLIGOMERS; OPTIMIZATION; QUANTUM THEORY;

CORRELATION ENERGY; CRYSTALLINE PACKING EFFECT; ELECTRON CORRELATION;

POLYMERS;

EID: 3142686149     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1740748     Document Type: Article

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