Hartree-Fock calculations with linearly scaling memory usage

Journal of Chemical Physics

Volumn 128, Issue 18, 2008, Pages

  Rudberg, Elias ^a   Rubensson, Emanuel H ^a   Sałek, Paweł ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ENERGY GAP; GAUSSIAN DISTRIBUTION; LINEAR SYSTEMS; SYSTEMS ANALYSIS;

DENSITY MATRICES; GAUSSIAN BASIS FUNCTIONS; HARTREE-FOCK CALCULATIONS;

WAVE FUNCTIONS;

ALANYLGLUTAMINE; DIPEPTIDE;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; MEMORY; QUANTUM THEORY; TIME;

ALGORITHMS; COMPUTER SIMULATION; DIPEPTIDES; MEMORY; MODELS, MOLECULAR; QUANTUM THEORY; TIME FACTORS;

EID: 43949128760     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2918357     Document Type: Article

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