Is the divide-and-conquer Hartree-Fock method valid for calculations of delocalized systems?

Molecular Physics

Volumn 105, Issue 19-22, 2007, Pages 2799-2804

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

^a WASEDA UNIVERSITY   (Japan)

Author keywords

Delocalized system; Divide and conqure method; Hartree Fock exchange; Linear scaling method

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; ERROR ANALYSIS; RELIABILITY THEORY;

DELOCALIZED SYSTEMS; DIVIDE-AND-CONQURE METHOD; HARTREE-FOCK EXCHANGE; LINEAR-SCALING METHOD; POLYENE CHAINS;

SYSTEMS ANALYSIS;

EID: 38849199319     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970701642267     Document Type: Article

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