Second-order Møller-Plesset theory with linear R12 terms (MP2-R12) revisited: Auxiliary basis set method and massively parallel implementation

Journal of Chemical Physics

Volumn 121, Issue 3, 2004, Pages 1214-1227

  Valeev, E F ^a,b   Janssen, C L ^c  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; ELECTRON CORRELATION; MATRIX ELEMENTS; QUANTUM CHEMICAL METHODS;

ALGORITHMS; APPROXIMATION THEORY; COMPUTATIONAL METHODS; DIMERS; ELECTRONS; FUNCTIONS; HYDROGEN; INTEGRAL EQUATIONS;

ATOMIC PHYSICS;

EID: 3242881902     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1759319     Document Type: Article

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