Ab initio study on the spectroscopy of CuCl2. I. Benchmark calculations on the X2∏g-2Σ g+ transition

Journal of Chemical Physics

Volumn 120, Issue 7, 2004, Pages 3221-3228

  Ramirez Solis A ^a   Daudey, J P ^b  

^a UNIVERSIDAD AUTÓNOMA DEL ESTADO DE MORELOS   (Mexico)

^b European Theoretical Spectroscopy Facility   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COPPER COMPOUNDS; ELECTRONIC STRUCTURE; FLUORESCENCE; GROUND STATE; HAMILTONIANS; MOLECULAR ORIENTATION; ORGANOMETALLICS; PERTURBATION TECHNIQUES; TRANSITION METALS;

DENSITY FUNCTIONAL THEORY (DFT); ELECTRONIC ENERGIES; TRANSITION ENERGIES;

ATOMIC PHYSICS;

EID: 12144291690     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1640992     Document Type: Article

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