Rushton, P. P. and Tozer, D. J. and Clark, S. J. (2002) 'Description of exchange and correlation in the strongly inhomogeneous electron gas using a nonlocal density functional.', Physical review B., 65 (19). p. 193106.
Abstract
We present exchange-correlation energy densities exc , total energies Exc, and holes, calculated for strongly inhomogeneous electron gases using the nonlocal weighted density approximation. The results closely resemble variational Monte Carlo simulations performed recently @Phys. Rev. Lett. 87, 036401 ~2001!#, demonstrating the effectiveness of a nonlocal density functional description.
| Item Type: | Article |
|---|---|
| Keywords: | Generalized gradient approximation, Correlation energy, Ground-state, Systems, Molecules, Formalism, Atoms. |
| Full text: | PDF - Published Version (222Kb) |
| Status: | Peer-reviewed |
| Publisher Web site: | http://dx.doi.org/10.1103/PhysRevB.65.193106 |
| Publisher statement: | © 2002 by The American Physical Society. All rights reserved. |
| Record Created: | 28 Nov 2006 |
| Last Modified: | 15 Sep 2010 16:25 |
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