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.
Original language | English (US) |
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Article number | 197101 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 78 |
Issue number | 19 |
DOIs | |
State | Published - Nov 19 2008 |