Perturbative triples corrections in state-specific multireference coupled cluster theory

Journal of Chemical Physics

Volumn 132, Issue 7, 2010, Pages

  Evangelista, Francesco A ^a   Prochnow, Eric ^a   Gauss, Jürgen ^a   Schaefer, Henry F ^b  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASYMMETRIC ENERGY; CHEMICAL PROBLEMS; CLUSTER OPERATOR; COUPLED-CLUSTER APPROACH; COUPLED-CLUSTER METHODS; COUPLED-CLUSTER THEORY; DIAGONAL ELEMENTS; DIRADICALS; EFFECTIVE HAMILTONIAN; ENERGY CORRECTION; ENERGY DIFFERENCES; ENERGY FUNCTIONALS; HARMONIC VIBRATIONAL FREQUENCIES; MULTI REFERENCE; OFF-DIAGONAL MATRIX ELEMENTS; PERTURBATIVE EXPANSION; POTENTIAL ENERGY CURVES; STATIONARY POINTS;

CLUSTER ANALYSIS; HAMILTONIANS; OZONE; POTENTIAL ENERGY;

LAGRANGE MULTIPLIERS;

EID: 77149138815     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3305335     Document Type: Article

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