Abrol, Ravinder ; Sathyamurthy, N. ; Harbola, Manoj K. (1999) Reduced potential energy curves for diatomic molecules and their respective cations Chemical Physics Letters, 312 (2-4). pp. 341-345. 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(99)00908-2
Abstract
It is shown that the reduced potential energy curve for a diatomic molecule and its cation are nearly identical, particularly near the minimum, implying that the force constant in reduced variables is nearly the same for the two species. An explanation is given in terms of scaling of the valence-electron wavefunction with respect to the nuclear coordinates.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 43865 |
| Deposited On: | 17 Jun 2011 05:40 |
| Last Modified: | 17 Jun 2011 05:40 |
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