Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies

Journal of Chemical Physics

Volumn 135, Issue 13, 2011, Pages

  MacKie, Iain D ^a,b   DiLabio, Gino A ^a,b  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ABSOLUTE DEVIATIONS; BASIS SETS; BASIS-SET LIMITS; BONDED SYSTEMS; CCSD; COMPLETE BASIS SET LIMIT; COMPLETE BASIS SETS; COMPOSITE METHOD; COUNTERPOISE CORRECTION; COUPLED-CLUSTER SINGLES; ENERGY CORRECTION; FIRST-PRINCIPLES CALCULATION; HIGHLY-CORRELATED; MEAN ABSOLUTE DEVIATIONS; NON-COVALENT INTERACTION; TWO-POINT;

APPROXIMATION THEORY; CALCULATIONS; COMPLEXATION; CORRELATION METHODS; DENSITY FUNCTIONAL THEORY; DIMERS; DISPERSIONS; EXTRAPOLATION; NAPHTHALENE; NUMERICAL METHODS; POTENTIAL ENERGY;

BINDING ENERGY;

NAPHTHALENE; NAPHTHALENE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; DIMERIZATION; QUANTUM THEORY; THERMODYNAMICS;

DIMERIZATION; MODELS, CHEMICAL; MODELS, MOLECULAR; NAPHTHALENES; QUANTUM THEORY; THERMODYNAMICS;

EID: 80054684758     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3643839     Document Type: Article

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