Phys. Rev. A 69, 012502 (2004) [7 pages]Variational method for inverting the Kohn-Sham procedure
Eugene S. Kadantsev * and M. J. Stott Received 11 September 2003; published 9 January 2004 A procedure based on a variational principle is developed for determining the local Kohn-Sham (KS) potential corresponding to a given ground-state electron density. This procedure is applied to calculate the exchange-correlation part of the effective Kohn-Sham (KS) potential for the neon atom and the methane molecule. ©2004 The American Physical Society
URL: http://link.aps.org/doi/10.1103/PhysRevA.69.012502 * Electronic address: ekadants@mjs1.phy.queensu.ca [ Abstract | Previous article | Next article | Issue 1 ] |
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