Gadre, Shridhar R. ; Gejji, Shridhar P. (1984) Refinement of electron momentum densities of ionic solids using an experimental energy constraint Chemical Physics Letters, 109 (6). pp. 584-586. 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(84)85429-9
Abstract
It is demonstrated how one can refine a given approximate momentum density distribution using a constraint of the experimental electronic energy. The technique developed is based on the calculus of variations. This technique has been applied to ionic solids such as LiF, LiCIl NaF, NACl, MgO, KF and KCl.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 86915 |
| Deposited On: | 14 Mar 2012 07:49 |
| Last Modified: | 14 Mar 2012 07:49 |
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