Recent progress in predicting structural and electronic properties of organic solids with the van der Waals density functional

Journal of Electron Spectroscopy and Related Phenomena

Volumn 204, Issue , 2015, Pages 159-167

  Yanagisawa, Susumu ^a   Okuma, Koji ^a   Inaoka, Takeshi ^a   Hamada, Ikutaro ^b  

^a UNIVERSITY OF THE RYUKYUS   (Japan)

^b NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

Band structure; Cohesive property; Density functional; First principles method; Organic solids; van der Waals interaction

Indexed keywords

BAND STRUCTURE; CRYSTAL STRUCTURE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; VAN DER WAALS FORCES; ZINC COMPOUNDS;

COHESIVE PROPERTY; DENSITY FUNCTIONALS; FIRST PRINCIPLES METHOD; ORGANIC SOLIDS; VAN DER WAALS INTERACTIONS;

STRUCTURAL PROPERTIES;

EID: 84942502760     PISSN: 03682048     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.elspec.2015.04.007     Document Type: Article

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