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- W3204331311 abstract "The asymptotics of the Kohn-Sham (KS) exact exchange potential $V_x(z)$ of a jelliumlike semi-infinite metal is investigated, in the framework of the optimized-effective-potential formalism of density-functional theory. Our numerical calculations clearly show that deep into the vacuum side of the surface $V_x(z) propto e^2 ln(az) / z$, with $a$ being a system-dependent constant, thus confirming the analytical calculations reported in Phys. Rev. B {bf 81}, 121106(R) (2010). A criticism of this work published in Phys. Rev. B {bf 85}, 115124 (2012) is shown to be incorrect. Our rigorous exchange-only results provide strong constraints both for the building of approximate exchange functionals and for the determination of the still unknown KS correlation potential." @default.
- W3204331311 created "2021-10-11" @default.
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- W3204331311 date "2021-10-03" @default.
- W3204331311 modified "2023-09-27" @default.
- W3204331311 title "Asymptotics of the metal-surface Kohn-Sham exact exchange potential revisited" @default.
- W3204331311 hasPublicationYear "2021" @default.
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