Gadre, Shridhar R. ; Gejji, Shridhar P. ; Pathak, Rajeev K. (1983) Electron density to electron momentum density: the use of an energy constraint Physical Review A, 27 (6). pp. 3328-3331. ISSN 1050-2947
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Official URL: http://pra.aps.org/abstract/PRA/v27/i6/p3328_1
Related URL: http://dx.doi.org/10.1103/PhysRevA.27.3328
Abstract
A modification of the Burkhardt, Kónya, Coulson, and March (BKCM) procedure [Phys. Rev. A 24, 2906 (1981)], enabling an estimation of electron momentum density exclusively from the knowledge of an atomic electron density, has been presented. A known value of the electronic energy has been employed as a constraint in effecting this modification without loss of simplicity of the BKCM procedure. These electron momentum densities are seen to be more physical than their unmodified counterparts.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Physical Society. |
| ID Code: | 10527 |
| Deposited On: | 04 Nov 2010 05:15 |
| Last Modified: | 31 May 2011 11:34 |
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