Theoretical study of valence photoelectron spectra of Re(CO)5X (X=Cl, Br, and I): A spin-orbit DK3 symmetry-adapted cluster/symmetry-adapted cluster-configuration interaction study

Journal of Chemical Physics

Volumn 124, Issue 22, 2006, Pages

  Nakajima, Takahito ^a,b   Hane, Shintaro ^a   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; HALOGEN ELEMENTS; RHENIUM;

CLUSTER CONFIGURATIONS; DOUGLAS KROLL (DK3) METHOD; SPIN ORBIT COUPLING; VALENCE PHOTOELECTRON SPECTRUM;

PHOTOELECTRON SPECTROSCOPY;

EID: 33745155744     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2206186     Document Type: Article

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