A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions

Journal of Chemical Physics

Volumn 129, Issue 19, 2008, Pages

  Manohar, Prashant U ^a   Krylov, Anna I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BUTADIENE; EQUATIONS OF MOTION; ERRORS; ETHANE; ONTOLOGY; SPIN DYNAMICS;

ABSOLUTE ERRORS; ABSOLUTE VALUES; CLUSTER METHODS; CYCLOBUTADIENE; DOUBLE SUBSTITUTIONS; ELECTRONIC EXCITATION ENERGIES; ENERGY DIFFERENCES; NITRENIUM IONS; NONITERATIVE; PERTURBATION TREATMENTS; TRIDEHYDROBENZENE;

METHOD OF MOMENTS;

EID: 56849112511     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3013087     Document Type: Article

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