Tractability gains in symmetry-adapted perturbation theory including coupled double excitations: CCD+ST(CCD) dispersion with natural orbital truncations

Journal of Chemical Physics

Volumn 139, Issue 17, 2013, Pages

  Parrish, Robert M ^a   Hohenstein, Edward G ^b,c   Sherrill, C David ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^b STANFORD UNIVERSITY   (United States)

^c SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADENINE-THYMINE; COUPLED CLUSTERS; DISPERSION INTERACTION; DOUBLE EXCITATIONS; NATURAL ORBITALS; PERTURBATIVE TRIPLE EXCITATIONS; SYMMETRY ADAPTED PERTURBATION THEORY; TRUNCATION TECHNIQUES;

DISPERSIONS; HYDROGEN BONDS; MONOMERS;

DIMERS;

EID: 84903362740     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4826520     Document Type: Article

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