A localized molecular-orbital assembler approach for Hartree-Fock calculations of large molecules

Journal of Chemical Physics

Volumn 122, Issue 19, 2005, Pages

  Li, Wei ^a   Li, Shuhua ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EXCHANGE-CORRELATIONS; FAST MULTIPOLE METHODS (FMM); HARTREE-FOCK (HF) CALCULATIONS; LOCALIZED MOLECULAR ORBITALS (LMO);

ALGORITHMS; COMPUTATIONAL METHODS; ELECTROSTATICS; MATRIX ALGEBRA; POLARIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

MOLECULAR DYNAMICS;

EID: 21444438003     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1898212     Document Type: Article

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