Implementation of divide-and-conquer method including hartree-fock exchange interaction

Journal of Computational Chemistry

Volumn 28, Issue 12, 2007, Pages 2003-2012

  Akama, Tomoko ^a   Kobayashi, Masato ^a   Nakai, Hiromi ^a  

^a WASEDA UNIVERSITY   (Japan)

Author keywords

Density of states; Divide and conquer method; Hartree Fock exchange; Linear scaling method; Local energy

Indexed keywords

COMPUTATIONAL METHODS; CONVERGENCE OF NUMERICAL METHODS; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS;

DENSITY OF STATES; DIVIDE-AND-CONQUER METHOD; HARTREE-FOCK EXCHANGE; LINEAR-SCALING METHOD; LOCAL ENERGY;

MATRIX ALGEBRA;

EID: 34547378610     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20707     Document Type: Article

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