Pre-selective screening for matrix elements in linear-scaling exact exchange calculations

Journal of Chemical Physics

Volumn 138, Issue 13, 2013, Pages

  Kussmann, Jörg ^a   Ochsenfeld, Christian ^a  

^a UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EVALUATION ALGORITHM; GRAPHICAL PROCESSING UNIT (GPUS); INTEGRAL ESTIMATE; MASSIVELY PARALLEL COMPUTING; MATRIX CALCULATIONS; MATRIX ELEMENTS; PRESELECTION METHODS; SCREENING PROCEDURES;

PARALLEL ARCHITECTURES;

MATRIX ALGEBRA;

ALKANE; AMYLOSE; DNA;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY;

ALGORITHMS; ALKANES; AMYLOSE; COMPUTER SIMULATION; DNA; MODELS, CHEMICAL; QUANTUM THEORY;

EID: 84876111771     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4796441     Document Type: Article

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