First-gradient corrections in Thomas-Fermi theory

Chattaraj, P. K. (1990) First-gradient corrections in Thomas-Fermi theory Physical Review A, 41 (11). pp. 6505-6508. ISSN 1050-2947

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Modifications of the first-gradient correction to the Thomas-Fermi kinetic-energy (KE) functional have been proposed based on its global correlation with the Weizsöcker energy functional. The self-consistent solution of the Thomas-Fermi-Dirac equation containing the modified first-gradient KE functional and a Wigner-type local-correlation-energy functional leads to acceptable energy values when one considers the computational simplicity.

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Deposited On:23 Feb 2012 06:04
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