Symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method: Improving upon CCSD(T) and CCSD(T) Λ: Preliminary application

Journal of Chemical Physics

Volumn 136, Issue 20, 2012, Pages

  Bozkaya, Uǧur ^a   Schaefer III, Henry F ^b  

^a ATATÜRK UNIVERSITY   (Turkey)

^b UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CCSD; COUPLED CLUSTERS; COUPLED-CLUSTER SINGLES AND DOUBLES; EQUILIBRIUM GEOMETRIES; FULL CONFIGURATION INTERACTION; NEW RESULTS; NONPARALLELITY ERRORS; POTENTIAL ENERGY CURVES; SINGLE BOND; TOTAL ENERGY; TRIPLE EXCITATION;

GEOMETRY; MOLECULES; OPTIMIZATION; QUANTUM CHEMISTRY;

NUMERICAL METHODS;

EID: 84862585774     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4720382     Document Type: Article

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