An accurate calculation of electronic contribution to static permittivity tensor for organic molecular crystals on the basis of the charge response kernel theory

Journal of Physical Chemistry A

Volumn 113, Issue 32, 2009, Pages 9207-9212

  Tsutsumi, Jun'ya ^a,b   Yoshida, Hiroyuki ^a   Murdey, Richard ^a   Kato, Shigeki ^a   Sato, Naoki ^a  

^a KYOTO UNIVERSITY   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; COMPUTATIONAL COSTS; ELECTRONIC CONTRIBUTIONS; KERNEL THEORY; ORGANIC MOLECULAR CRYSTAL; STATIC PERMITTIVITY;

MOLECULAR CRYSTALS; ORGANIC COMPOUNDS; PERMITTIVITY; TENSORS;

DENSITY FUNCTIONAL THEORY;

EID: 68549140101     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp903420w     Document Type: Article

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