Multilevel extension of the cluster-in-molecule local correlation methodology: Merging coupled-cluster and møller-plesset perturbation theories

Journal of Physical Chemistry A

Volumn 114, Issue 24, 2010, Pages 6721-6727

  Li, Wei ^a   Piecuch, Piotr ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOND-BREAKING; COMPLETELY RENORMALIZED; COUPLED CLUSTERS; COUPLED-CLUSTER APPROACH; DODECANE; KEY FEATURE; LEVEL METHOD; LOCAL CORRELATIONS; LOCALIZED ORBITALS; LOW COSTS; MOLECULAR SYSTEMS; NON-ITERATIVE; ORTHONORMAL; PLESSET PERTURBATION THEORY; SECOND ORDERS; WATER MOLECULE;

COST REDUCTION; DANGLING BONDS; MOLECULES;

PERTURBATION TECHNIQUES;

EID: 77953755673     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1038738     Document Type: Article

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