Subramanian, V. ; Venkatesh, K. ; Prabha, D.Mary ; Ramasami, T. (1997) Density functional calculations of Van der Waals clusters: NeN2+ as a case study Chemical physics letters, 276 (1-2). pp. 9-12. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/S0009-2614(97)88027-X
Abstract
Hybrid density functional theory (DFT) methods have been employed to investigate the binding energy and geometry of the Van der Waals cluster NeN2+. The results are compared with MP2 computations. DFT predicts a large binding energy for the cluster as compared to the MP2 calculation.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 107974 |
| Deposited On: | 01 Dec 2017 12:19 |
| Last Modified: | 01 Dec 2017 12:19 |
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