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An ab initio CI study of the electronic structure and spectrum of the trichloride ion

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

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
287 KB
Volume
141
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The equilibrium geometry of the ground state (X 'xc,), vertical excitation energies and associated oscillator strengths or lifetimes have been calculated for the trichloride ion, Cl,, by the ab initio MRD CI method using a double-zeta plus polarization basis set. The calculated transition energies are in good agreement with the experimental values.

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