Using the first-order density matrix of an infinite barrier model of a metal surface, the exchange energy density can be evaluated exactly as a function of the distance z from the barrier. This result is compared with the local approximation - 3 4e2( 3 π) 1 3[ρ{variant}(z)] 4 3 where the electron density in the model. The local approximation follows the exact result quite closely at all z but leads to a large percentual error in the integrated surface exchange energy. © 1981.

Miglio, L., Tosi, M. (1981). Exchange energy density of inhomogeneous electron-gas near a metal-surface. SURFACE SCIENCE, 111(1), 119-127 [10.1016/0039-6028(81)90479-9].

Exchange energy density of inhomogeneous electron-gas near a metal-surface

MIGLIO, LEONIDA;
1981

Abstract

Using the first-order density matrix of an infinite barrier model of a metal surface, the exchange energy density can be evaluated exactly as a function of the distance z from the barrier. This result is compared with the local approximation - 3 4e2( 3 π) 1 3[ρ{variant}(z)] 4 3 where the electron density in the model. The local approximation follows the exact result quite closely at all z but leads to a large percentual error in the integrated surface exchange energy. © 1981.
Articolo in rivista - Articolo scientifico
Exchange Energy
English
119
127
9
Miglio, L., Tosi, M. (1981). Exchange energy density of inhomogeneous electron-gas near a metal-surface. SURFACE SCIENCE, 111(1), 119-127 [10.1016/0039-6028(81)90479-9].
Miglio, L; Tosi, M
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/44170
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