Theoretical investigation on the valence ionization spectra of Cl2O, ClOOCl, and F2O by correlation-based configuration interaction methods

Journal of Chemical Physics

Volumn 118, Issue 13, 2003, Pages 5811-5820

  Tomasello, Pasquale ^a   Ehara, Masahiro ^b   Nakatsuji, Hiroshi ^b  

^a UNIVERSITY OF CATANIA   (Italy)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; CHLORINE COMPOUNDS; ELECTRONIC STRUCTURE; FLUORINE COMPOUNDS; GROUND STATE; MOLECULAR VIBRATIONS; PHOTOELECTRON SPECTROSCOPY; PHOTOIONIZATION; QUANTUM THEORY;

DICHLORINE PEROXIDE; DIFLUORINE MONOXIDE; SYMMETRY ADAPTED CLUSTER CONFIGURATION INTERACTION; VALENCE IONIZATION SPECTRA;

MOLECULAR DYNAMICS;

EID: 0037397657     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1556072     Document Type: Article

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