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Spectroscopic constants and potential energy curves of SnF

โœ Scribed by Dingguo Dai; K. Balasubramanian

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
603 KB
Volume
224
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

Spectroscopic constants and potential energy curves of 20 electronic states of SnF arising from valence dissociation limits are computed using the complete active space MCSCF (CASSCF) followed by first-and second-order configuration interaction (FOCI, SOCI) methods, which included up to one million configurations. Our computed spectroscopic constants of five electronic states fit well with the experimentally observed X, A, a, and C states. The dipole moments and other yet to be observed properties of several electronic states are reported.

๐Ÿ“œ SIMILAR VOLUMES

Spectroscopic Constants and Potential En
Spectroscopic Constants and Potential Energy Curves of PbI
โœ M. Benavidesgarcia; K. Balasubramanian ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 383 KB

The spectroscopic constants and potential energy curves of the \(\mathrm{PbI}\) diatomic were computed using complete active space SCF (CASSCF) followed by first-order \(\mathrm{Cl}\) ( \(\mathrm{FOCl}\) ) and second-order \(\mathrm{CI}\) (SOCI) calculations which included 607000 configurations. Spi