Refinement of electron momentum densities of ionic solids using an experimental energy constraint |
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| Authors: | Shridhar R. Gadre Shridhar P. Gejji |
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| Affiliation: | Department of Chemistry, University, of Poona, Pune 411 007, India |
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| 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. |
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