A cautionary tale of two basis sets and graphene

Computing in Science and Engineering

Volumn 14, Issue 2, 2012, Pages 55-59

  Stewart, Derek A ^a  

^a Cornell University ^*  (United States)

Author keywords

basis set; computational materials science; Density functional theory; electronic structure; graphene; scientific computing

Indexed keywords

BASIS SETS; CAUTIONARY TALES; CHARACTERIZATION TECHNIQUES; COMPUTATIONAL MATERIALS SCIENCE; DENSITY FUNCTIONAL THEORIES (DFT); ELECTRONIC TRANSPORT;

ELECTRONIC STRUCTURE; MATERIALS SCIENCE; NATURAL SCIENCES COMPUTING;

GRAPHENE;

EID: 84858232374     PISSN: 15219615     EISSN: None     Source Type: Journal    
DOI: 10.1109/MCSE.2011.54     Document Type: Article

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