Sen, Purnendranath ; Basu, Sadhan (1969) Free-electron model for electronic spectra of benzene International Journal of Quantum Chemistry, 3 (5). pp. 611-619. ISSN 0020-7608
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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/qua.560...
Related URL: http://dx.doi.org/10.1002/qua.560030508
Abstract
Using a three dimensional free-electron model for the π-electron system the energies of the various singly and doubly excited configurations of benzene have been calculated. It has been found that the energies of the various singly excited configurations are in good agreement with the values obtained by Craig; whereas the energies of the doubly excited configurations are higher than those obtained by Craig. Therefore the configurational mixing for the doubly excited configurations is not necessary in this kind of model.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons, Inc. |
| ID Code: | 29108 |
| Deposited On: | 18 Dec 2010 05:36 |
| Last Modified: | 18 Jan 2011 08:19 |
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