Massively parallel linear-scaling algorithm in an ab initio local-orbital total-energy method

Journal of Computational Physics

Volumn 188, Issue 1, 2003, Pages 1-15

  Shellman, Spencer D ^a   Lewis, James P ^b   Glaesemann, Kurt R ^c   Sikorski, Krzysztof ^a   Voth, Gregory A ^b  

^a University of Utah   (United States)

^b UNIVERSITY OF UTAH   (United States)

^c LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPLICATION PROGRAMMING INTERFACES (API); BAND STRUCTURE; MESSAGE PASSING;

AB INITIO; BAND STRUCTURE ENERGY; ELECTRONIC BAND STRUCTURE; FUNCTIONAL FORMS; HAMILTONIANS MATRICES; LINEAR SCALING ALGORITHM; LOCAL ORBITALS; MASSIVELY PARALLELS; TIGHT BINDING METHODS; TOTAL ENERGY METHODS;

CONJUGATE GRADIENT METHOD;

EID: 0037670583     PISSN: 00219991     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0021-9991(03)00069-X     Document Type: Article

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