Electron excitation energies using a consistent third-order propagator approach: Comparison with full configuration interaction and coupled cluster results

Journal of Chemical Physics

Volumn 117, Issue 14, 2002, Pages 6402-6410

  Trofimov, A B ^a   Stelter, G ^b   Schirmer, J ^b  

^a IRKUTSK STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; EQUATIONS OF MOTION; GROUND STATE; MATHEMATICAL MODELS; NUMERICAL ANALYSIS; PERTURBATION TECHNIQUES; QUANTUM THEORY;

COUPLED CLUSTER; ELECTRON EXCITATION ENERGIES; FULL CONFIGURATION INTERACTION; THIRD ORDER PROPAGATOR;

MOLECULAR DYNAMICS;

EID: 0037044538     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1504708     Document Type: Article

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