Assessment of recently developed density functional approaches for the evaluation of the bond length alternation in polyacetylene

Chemical Physics Letters

Volumn 405, Issue 4-6, 2005, Pages 376-381

  Jacquemin, Denis ^a,c   Perpète, Eric A ^a,c   Ciofini, Ilaria ^b   Adamo, Carlo ^b  

^a UNIVERSITY OF NAMUR   (Belgium)

^b CNRS   (France)

^c FUND FOR SCIENTIFIC RESEARCH   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

MATHEMATICAL MODELS; OLIGOMERS; PROBABILITY DENSITY FUNCTION;

BOND LENGTH ALTERNATION (BLA); WAVEFUNCTIONS;

POLYACETYLENES;

POLYACETYLENE;

ACCURACY; ANALYTIC METHOD; ARTICLE; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; ION EXCHANGE; MATHEMATICAL MODEL; MOLECULAR PHYSICS;

EID: 15944402123     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.02.037     Document Type: Article

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