Auxiliary basis expansions for large-scale electronic structure calculations

Proceedings of the National Academy of Sciences of the United States of America

Volumn 102, Issue 19, 2005, Pages 6692-6697

  Jung, Yousung ^a,b   Sodt, Alex ^a,b   Gill, Peter M W ^c   Head Gordon, Martin ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

Density fitting; Linear scaling; Resolution of the identity

Indexed keywords

ALKANE; HYDROCARBON;

ARTICLE; CALCULATION; COULOMETRY; DENSITY FUNCTIONAL THEORY; ELECTRONICS; MATHEMATICAL ANALYSIS; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

ALKANES; BIOPHYSICS; CHEMISTRY; ELECTRONS; KINETICS; MODELS, STATISTICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; SOFTWARE;

EID: 18744384077     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0408475102     Document Type: Article

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