Large-scale Dirac-Fock-Breit method using density fitting and 2-spinor basis functions

Journal of Chemical Physics

Volumn 138, Issue 20, 2013, Pages

  Kelley, Matthew S ^a   Shiozaki, Toru ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ELEMENTS; COMPUTATION THEORY; FUNCTION EVALUATION; WAVE FUNCTIONS;

BASIS FUNCTIONS; BREIT INTERACTION; COMPUTATIONAL COSTS; DENSITY FITTING; FOCK OPERATORS; HARTREE-FOCK METHODS; HEAVY ELEMENTS; SMALL COMPONENTS;

ITERATIVE METHODS;

EID: 84879394266     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4807612     Document Type: Article

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