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Comment on “More accurate generalized gradient approximation for solids”

Comment on “More accurate generalized gradient approximation for solids” We point out an issue in the derivation of a nonempirical parameter in the Wu-Cohen exchange functional. With the value of the parameter that yields the correct fourth-order gradient expansion of the functional, the performance of the Wu-Cohen exchange functional is worse than the Perdew-Burke-Ernzerhof functional. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Comment on “More accurate generalized gradient approximation for solids”

Physical Review B , Volume 78 (19) – Nov 15, 2008
2 pages

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Publisher
American Physical Society (APS)
Copyright
Copyright © 2008 The American Physical Society
ISSN
1550-235X
DOI
10.1103/PhysRevB.78.197101
Publisher site
See Article on Publisher Site

Abstract

We point out an issue in the derivation of a nonempirical parameter in the Wu-Cohen exchange functional. With the value of the parameter that yields the correct fourth-order gradient expansion of the functional, the performance of the Wu-Cohen exchange functional is worse than the Perdew-Burke-Ernzerhof functional.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Nov 15, 2008

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