Spectroscopic properties and potential energy curves of 29 electronic states of YH
โ Scribed by K. Balasubramanian; J.Z. Wang
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 505 KB
- Volume
- 133
- Category
- Article
- ISSN
- 0022-2852
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๐ SIMILAR VOLUMES
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 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 \(\mathrm{Cl}\)
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.