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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.

Description of exchange and correlation in the strongly inhomogeneous electron gas using a nonlocal density functional Thumbnail


Authors

P.P. Rushton

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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Copyright Statement
© 2002 by The American Physical Society. All rights reserved.




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