Density-functional based determination of intermolecular charge transfer properties for large-scale morphologies

Physical Chemistry Chemical Physics

Volumn 12, Issue 36, 2010, Pages 11103-11113

  Baumeier, Björn ^a   Kirkpatrick, James ^b   Andrienko, Denis ^a  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77956298740     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c002337j     Document Type: Article

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50. We use B3LYP for the remainder of the paper as it better allows us to define an upper limit for the computational cost T. This does not constitute any preference of this level of theory over non-hybrid functionals for the systems under study