Complex-scaled equation-of-motion coupled-cluster method with single and double substitutions for autoionizing excited states: Theory, implementation, and examples

Journal of Chemical Physics

Volumn 138, Issue 12, 2013, Pages

  Bravaya, Ksenia B ^a   Zuev, Dmitry ^a   Epifanovsky, Evgeny ^a   Krylov, Anna I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DOUBLE SUBSTITUTION; ELECTRON EJECTION; ENERGY DECOMPOSITION; EQUATION OF MOTION COUPLED CLUSTERS; FESHBACH RESONANCES; FUNCTION ANALYSIS; ONE-ELECTRON BASIS; SCALING PARAMETER;

ELECTRON CORRELATIONS; NUMERICAL METHODS; RESONANCE; WAVE FUNCTIONS;

EXCITED STATES;

BERYLLIUM; HELIUM; HYDROGEN;

ARTICLE; CHEMISTRY; ELECTRON; QUANTUM THEORY;

BERYLLIUM; ELECTRONS; HELIUM; HYDROGEN; QUANTUM THEORY;

EID: 84875792856     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4795750     Document Type: Article

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