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Calculation of 〈p〉 and 〈p−1〉 from variational atomic electron densities

✍ Scribed by M.Daniel Glossman; Eduardo A. Castro

Publisher: Elsevier Science
Year: 1990
Tongue: English
Weight: 319 KB
Volume: 167
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(90)87172-n

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✦ Synopsis

Pathak and Cadre discussed the relationship between the electron density p(r) and the expectation values (p) and (p-l). In a previous work by the authors, the Thomas-Fermi-Dirac energydensity functional has been used to assess the effect of the modified Weizsiicker gradient expansion correction on p(r). In this paper, use is made of this electron density, and the effect of the gradient expansion correction on the expectation values (p) and (p-l} is assessed. Also the peak value of the Compton profile J(0) is calculated.

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