New quadratic nondifferential Thomas-Fermi-Dirac-type equation for atoms

Deb, B. M. ; Chattaraj, P. K. (1988) New quadratic nondifferential Thomas-Fermi-Dirac-type equation for atoms Physical Review A, 37 (10). pp. 4030-4033. ISSN 1050-2947

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Official URL: http://pra.aps.org/abstract/PRA/v37/i10/p4030_1

Related URL: http://dx.doi.org/10.1103/PhysRevA.37.4030

Abstract

This paper reports the first quadratic, nondifferential, and self-consistent solution to a Thomas-Fermi-Dirac (TFD)-type equation for many-electron atoms. The essential feature in the Euler-Lagrange equation is the inclusion of a "first-gradient" correction to the TF kinetic energy, which leads to chemical binding in molecules and solids. The calculations are easier to perform than other TFD-type calculations, while the radial density and energy obtained compare very well with similar calculations.

Item Type:Article
Source:Copyright of this article belongs to American Physical Society.
ID Code:9140
Deposited On:29 Oct 2010 11:32
Last Modified:23 Feb 2012 05:57

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