Semi-exact concentric atomic density fitting: Reduced cost and increased accuracy compared to standard density fitting

Journal of Chemical Physics

Volumn 140, Issue 6, 2014, Pages

  Hollman, David S ^a,b   Schaefer, Henry F ^a   Valeev, Edward F ^b  

^a UNIVERSITY OF GEORGIA   (United States)

^b VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTATION THEORY; MOLECULES; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

ATOMIC DENSITY; ATOMIC ORBITAL; COMPUTATIONAL COSTS; DENSITY FITTING; EXACT EXCHANGE; HARTREE-FOCK THEORY; NONLOCAL DENSITIES; PRESCRIPTION DRUGS;

DENSITY FUNCTIONAL THEORY;

EID: 84907060909     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4864755     Document Type: Article

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