A theoretical study of the excited electronic states of the molecular ion BBr+
UNSPECIFIED. (1997) A theoretical study of the excited electronic states of the molecular ion BBr+. MOLECULAR PHYSICS, 90 (1). pp. 43-47. ISSN 0026-8976Full text not available from this repository.
A comprehensive theoretical treatment is presented of the low-lying electronic states of the molecular ion BBr+ correlating with the two lowest dissociation asymptotes B+(S-1)+Br(P-2) and B(P-2)+Br+(P-3). All-electron CASSCF+CI calculations have been made with averaged atomic natural orbital basis sets. Spectroscopic constants are calculated for the bound states but are in disagreement with an experimental analysis in the literature of a (2) Pi(r) --> X (2) Sigma(+) system. It is suggested that a re-examination of the spectroscopy of this species would be worthwhile.
|Item Type:||Journal Article|
|Subjects:||Q Science > QC Physics|
|Journal or Publication Title:||MOLECULAR PHYSICS|
|Publisher:||TAYLOR & FRANCIS LTD|
|Official Date:||January 1997|
|Number of Pages:||5|
|Page Range:||pp. 43-47|
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