De Proft, F. ; Sen, K. D. ; Geerlings, P. (1995) Effects of finite basis set expansion and electron correlation on the atomic shell structure from average local electrostatic potential functions Chemical Physics Letters, 247 (1-2). pp. 154-158. 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(95)01199-7
Abstract
The shell structure of a selected number of atoms is studied using the average local electrostatic potential function V(r)/ρ(r) and Gaussian type orbitals. In addition, the influence of electron correlation on this function is discussed: these effects are shown to be small and can be neglected in comparison with the effect associated with basis set extension.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 45010 |
| Deposited On: | 24 Jun 2011 13:47 |
| Last Modified: | 24 Jun 2011 13:47 |
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