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Spectroscopic constants and potential energy curves for 18 electronic states of IrH+

โœ Scribed by Dingguo Dai; Aiping Huang; K Balasubramanian

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
616 KB
Volume
154
Category
Article
ISSN
0022-2852

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๐Ÿ“œ SIMILAR VOLUMES

Spectroscopic Properties and Potential E
Spectroscopic Properties and Potential Energy Curves for 30 Electronic States of ReH
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 \(\mathrm{Cl}\)

Spectroscopic Constants and Potential En
Spectroscopic Constants and Potential Energy Curves for GeF
โœ D.W. Liao; K. Balasubramanian ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 335 KB

The spectroscopic constants of the electronic states of GeF lying below the \(60000 \mathrm{~cm}^{-1}\) region are obtained using the complete active space multiconfiguration self-consistent field followed by first- and second-order configuration interaction (FOCI, SOCI) methods which included up to