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Electronic states and potential energy curves of ZrH+ and NbH+

โœ Scribed by Kalyan K Das; K Balasubramanian

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
733 KB
Volume
148
Category
Article
ISSN
0022-2852

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๐Ÿ“œ SIMILAR VOLUMES

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Spectroscopic properties and potential energy curves of thirty-six electronic states of ZrH
โœ K. Balasubramanian; J.Z. Wang ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 403 KB

Complete active space MCSCF (CASSCF) followed by second-order configuration interaction (SOCI) and relativistic configuration interaction (RCI) calculations are carried out on thirty-six electronic states of ZrH. The spectroscopic properties of these states are calculated which lie below 14000 cm-I.

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โœ D.G. Dai; K. Balasubramanian ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 574 KB

Spectroscopic constants and potential energy curves of 30 electronic states of the diatomic \(\mathrm{ReH}\) are computed using complete active space multiconfiguration self-consistent field followed by first-order configuration interaction (CI) and multireference singles + doubles \(\mathrm{CI}\) c

Spectroscopic Properties and Potential E
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โœ D.G. Dai; K. Balasubramanian ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 557 KB

Spectroscopic constants and potential energy curves of 21 electronic states of \(\mathrm{CrH}\) are obtained using the all-electron complete active space multiconfiguration self-consistent field (CASMCSCF) followed by first-order configuration interaction (FOCI) and full second-order \(\mathrm{Cl}\)