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Configuration interaction study of the electronic spectrum of furan

โœ Scribed by Karl-Heinz Thunemann; Robert J. Buenker; Werner Butscher


Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
739 KB
Volume
47
Category
Article
ISSN
0301-0104

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๐Ÿ“œ SIMILAR VOLUMES


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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

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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