Theoretical configuration interaction study of the vertical electronic spectrum of ethane
โ Scribed by Lek Chantranupong; Gerhard Hirsch; Robert J. Buenker; Michael A. Dillon
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 792 KB
- Volume
- 297
- Category
- Article
- ISSN
- 0022-2860
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๐ SIMILAR VOLUMES
An ab initio configuration interaction study including spin-orbit coupling and employing relativistic effective core potentials for both constituent atoms is reported for the lowest lying states of thallium chloride. Good agreement is obtained with measured \(T_{\mathrm{c}}\) values \(\left( \pm 150
Ab initio configuration interaction calculations have been carried out for Sill + using a large Gaussian basis set. Calculated spectroscopic constants of the X a X รท and A llI states as well as the excitation energy and the f0o value of the A III ~ X 1X รท transition and the lifetime z o of the A1H s