Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: The implementation for low-lying excited states

Journal of Chemical Physics

Volumn 129, Issue 23, 2008, Pages

  Fang, Tao ^a   Shen, Jun ^a   Li, Shuhua ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BUTADIENE; ELECTRIC EXCITATION; EXCITED STATES; FLOW INTERACTIONS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SULFUR COMPOUNDS;

CLUSTER OPERATORS; COMPLETE ACTIVE SPACES; COUPLED CLUSTER METHODS; COUPLED CLUSTERS; ELECTRONIC EXCITED STATES; FULL CONFIGURATION INTERACTIONS; HIGH ACCURACIES; MULTIREFERENCE CONFIGURATION INTERACTIONS; PERTURBATION THEORIES; REFERENCE FUNCTIONS; VERTICAL EXCITATION ENERGIES;

PERTURBATION TECHNIQUES;

EID: 57849114339     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3043728     Document Type: Article

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