P.P. Rushton
Description of exchange and correlation in the strongly inhomogeneous electron gas using a nonlocal density functional
Rushton, P.P.; Tozer, D.J.; Clark, S.J.
Authors
D.J. Tozer
S.J. Clark
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.
Citation
Rushton, P., Tozer, D., & Clark, S. (2002). Description of exchange and correlation in the strongly inhomogeneous electron gas using a nonlocal density functional. Physical review B, 65(19), https://doi.org/10.1103/physrevb.65.193106
Journal Article Type | Article |
---|---|
Publication Date | 2002-05 |
Deposit Date | Nov 28, 2006 |
Publicly Available Date | Sep 15, 2010 |
Journal | Physical Review B |
Print ISSN | 1098-0121 |
Electronic ISSN | 1550-235X |
Publisher | American Physical Society |
Peer Reviewed | Peer Reviewed |
Volume | 65 |
Issue | 19 |
DOI | https://doi.org/10.1103/physrevb.65.193106 |
Keywords | Generalized gradient approximation, Correlation energy, Ground-state, Systems, Molecules, Formalism, Atoms. |
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© 2002 by The American Physical Society. All rights reserved.
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