Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks

Journal of Chemical Physics

Volumn 141, Issue 2, 2014, Pages

  Zuev, Dmitry ^a   Jagau, Thomas C ^a   Bravaya, Ksenia B ^b   Epifanovsky, Evgeny ^a,c,d   Shao, Yihan ^d   Sundstrom, Eric ^c   Head Gordon, Martin ^c   Krylov, Anna I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b USA   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d Q Chem Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PHYSICAL CHEMISTRY; PHYSICS;

COMPLEX ABSORBING POTENTIALS; ELECTRON ATTACHMENT; EQUATION OF MOTION COUPLED CLUSTERS; MOLECULAR SHAPE RESONANCE; ONE-ELECTRON BASIS; RESONANCE POSITION; THEORETICAL APPROACH; UNIVERSAL CRITERION;

ELECTRON RESONANCE;

ADSORPTION; ELECTRON; QUANTUM THEORY; THEORETICAL MODEL;

ADSORPTION; ELECTRONS; MODELS, THEORETICAL; QUANTUM THEORY;

EID: 84904312445     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4885056     Document Type: Article

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