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pro vyhledávání: '"Horowitz, C. M."'
Several semilocal exchange potentials usually employed in the framework of density-functional theory (DFT) are tested and compared with their exact counterpart, the exchange Optimized Effective Potential (OEP), as applied to the jellium-slab model of
Externí odkaz:
http://arxiv.org/abs/2202.07827
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 cle
Externí odkaz:
http://arxiv.org/abs/2110.00902
Publikováno v:
Journal of Chemical Physics; 10/28/2023, Vol. 159 Issue 16, p1-8, 8p
Akademický článek
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A long-standing puzzle in density-functional theory is the issue of the long-range behavior of the Kohn-Sham exchange-correlation potential at metal surfaces. As an important step towards its solution, it is proved here, through a rigurouos asymptoti
Externí odkaz:
http://arxiv.org/abs/1003.3681
The position-dependent exact-exchange energy per particle $\varepsilon_x(z)$ (defined as the interaction between a given electron at $z$ and its exact-exchange hole) at metal surfaces is investigated, by using either jellium slabs or the semi-infinit
Externí odkaz:
http://arxiv.org/abs/0911.1338
Exact-exchange self-consistent calculations of the Kohn-Sham potential, surface energy, and work function of jellium slabs are reported in the framework of the Optimized Effective Potential (OEP) scheme of Density Functional Theory. In the vacuum sid
Externí odkaz:
http://arxiv.org/abs/0808.0580
The behavior of the surface barrier that forms at the metal-vacuum interface is important for several fields of surface science. Within the Density Functional Theory framework, this surface barrier has two non-trivial components: exchange and correla
Externí odkaz:
http://arxiv.org/abs/cond-mat/0607112
Publikováno v:
Phys. Rev. B, V.70, p.033406 (2004)
It is shown that an alternative approach for the characterization of growing branched patterns consists of the statistical analysis of frozen structures, which cannot be modified by further growth, that arise due to competitive processes among neighb
Externí odkaz:
http://arxiv.org/abs/cond-mat/0602206
Akademický článek
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