Combining the advantages of semi-direct schemes and linear-scaling self-consistent field methods

Molecular Physics

Volumn 108, Issue 19-20, 2010, Pages 2725-2731

  Flaig, Denis ^a   Ochsenfeld, Christian ^a  

^a UNIVERSITY OF MUNICH   (Germany)

Author keywords

density matrix based; indirect; linear scaling; SCF; semi direct; stored integral

Indexed keywords

DENSITY MATRIX; INDIRECT; LINEAR-SCALING; SCF; SEMI-DIRECT; STORED-INTEGRAL;

CURRENT VOLTAGE CHARACTERISTICS; KNOWLEDGE BASED SYSTEMS; MATRIX ALGEBRA; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 78449281728     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.523016     Document Type: Conference Paper

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