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Ab initio CI study of the electronic structure and spectrum of the dibromide ion

โœ Scribed by A.B. Sannigrahi; S.D. Peyerimhoff

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
423 KB
Volume
148
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The ground-state spectroscopic constants, vertical excitation energies and associated oscillator strengths or lifetimes have been calculated for the dibromide ion, Brc by the ab initio MRD CI method using a double-zeta Gaussian basis augmented with a set of diffuse p functions, together with an s and a set of p bond functions. For the sake of comparison, the ground-state spectroscopic constants of Brz have also been calculated. The calculated transition energies of Br; are in good agreement with experimental data.

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