Refinement of electron momentum densities of ionic solids using an experimental energy constraint

✍ Scribed by Shridhar R. Gadre; Shridhar P. Gejji

• Publisher: Elsevier Science
• Year: 1984
• Tongue: English
• Weight: 269 KB
• Volume: 109
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(84)85429-9

✦ Synopsis

It is demonstrated how one can refiie a given approximate momentum density distribution using a constraint of the experimental electronic energy. The technique developed is based on the cakulus of variations. This technique has been applied to ionic solids such as LiF, LiCI, NaF, N&I, hIgO,EF and KCJ.