Nagalakshmi, V. ; Lakshminarayana, V. ; Sumithra, G. ; Durga Prasad, M. (1994) Coupled cluster description of anharmonic molecular vibrations. Application to O3 and SO2 Chemical Physics Letters, 217 (3). pp. 279-282. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/0...
Related URL: http://dx.doi.org/10.1016/0009-2614(93)E1380-Y
Abstract
The coupled cluster method is applied to the calculation of vibrational levels of O3 and SO2 and compared with the self consistent field approximation (SCF) and accurate quantum calculations. It is found that CCM truncated at the S4 level provides a marginally better description than SCF for the ground and low-lying excited states.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 79364 |
| Deposited On: | 25 Jan 2012 12:04 |
| Last Modified: | 25 Jan 2012 12:04 |
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