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Spectroscopic constants and potential energy curves of PbBr

โœ Scribed by Maria Benavides-Garcia; K. Balasubramanian

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
492 KB
Volume
211
Category
Article
ISSN
0009-2614

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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

Spectroscopic constants and potential en
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Spectroscopic constants and potential energy curves of 21 electronic states of AsF are computed using the complete active space self-consistent field (CASSCF) followed by first-and second-order configuration interaction (FOCI, SOCI) and multireference singles and doubles configuration interaction (M