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Spectroscopic properties and potential energy curves of GaCl

โœ Scribed by Gyoung-bum Kim; K. Balasubramanian

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
521 KB
Volume
193
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

Fifteen electronic states of GaCl are investigated using relativistic ab initio complete active space MCSCF (CASSCF) followed by large-scale multi-reference configuration interaction calculations which included up to 1000000 configurations. Potential energy curves and spectroscopic constants of various electronic states are reported. Spectroscopic constants of eight new states are obtained which are yet to be observed. Calculated spectroscopic constants of GaCl are in accord with the experimental constants for the known states.

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