Webconclusion that the actual jellium surface energies should be only slightly higher than those obtained in the LDA.12–14 Li et al.15 calculated the fixed-node DMC surface energy of a jellium slab with rs=2.07, the thickness of the positive background being L=8.52 srs a0d. These authors,15 unlike Acioli and Ceperley,1 extracted from their ... WebLet us consider a jellium slab of width d that is infinite in the xy plane (normal to the z axis). The jellium slab is invariant under translations in the xy plane, so the xc en-ergy …

Phys. Rev. B 99, 235111 (2024) - Performance of the spin …

Web20 apr 2012 · Abstract We present a direct comparison of the exchange-only optimized effective potential ( x -OEP) method, originating from density functional theory, with Hartree-Fock (HF) results for jellium slabs of finite width, based on fully self-consistent calculations. WebDespite its simplicity, when electron-electron interaction is properly accounted for, the jellium model describes correctly the Fermi-surface prop- erties of simple metals and collective e ects including the plasmons, both in the bulk and in the surface. crochet sneaker slippers for boys

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Webenergy and work function of jellium slabs. The rest of the paper is organized as follows: in Sec. II we present the general theoretical background for both jellium slabs and the semi … WebThe jellium surface is the simplest model for simple metal surfaces and a prototype to study correlation effects in inho- mogeneous systems. In systems with only a few electrons … Web1 dic 2009 · For jellium slabs, we prove analytically and numerically that in the vacuum region far away from the surface εxSlab(z→∞)→−e2/2z, independentof the bulk electron density, which is exactly half the corresponding exact-exchange potential Vx(z→∞)→−e2/z[Horowitz et al., Phys. Rev. Lett.97, 026802 (2006)] of density-functional … crochet sneaker baby shoes