Far outside the surface of slabs, the exact exchange (EXX) potential vx falls off as −1/z , if z denotes the direction perpendicular to the surface and the slab is localized around z=0 . Similarly, the EXX energy density ex behaves as −n/(2z) , where n is the electron density. Here, an alternative proof of these relations is given, in which the Coulomb singularity in the EXX energy is treated in a particularly careful fashion. This new approach allows the derivation of the next-to-leading order contributions to the asymptotic vx and ex . It turns out that in both cases, the corrections are proportional to 1/z2 in general
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
25 p., 9 figurasExact-exchange self-consistent calculations of the Kohn-Sham potential, surface ener...
Far outside the surface of slabs, the exact exchange (EXX) potential v x falls off as &minu...
Far outside the surface of slabs, the exact exchange (EXX) potential v x falls off as &minu...
26 p., 7 figurasThe position-dependent exact-exchange energy per particle epsilon(x)(z) (defined as ...
The asymptotic structure of the Kohn-Sham exchange potential v(x) (r) in the classically forbidden r...
Several semilocal exchange potentials usually employed in the framework of density-functional theory...
26 p., 7 figurasThe position-dependent exact-exchange energy per particle epsilon(x)(z) (defined as ...
We derive asymptotically exact results for the charge and spin densities far away from finite system...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
Exact-exchange self-consistent calculations of the Kohn-Sham potential, surface energy, and work fun...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
25 p., 9 figurasExact-exchange self-consistent calculations of the Kohn-Sham potential, surface ener...
Far outside the surface of slabs, the exact exchange (EXX) potential v x falls off as &minu...
Far outside the surface of slabs, the exact exchange (EXX) potential v x falls off as &minu...
26 p., 7 figurasThe position-dependent exact-exchange energy per particle epsilon(x)(z) (defined as ...
The asymptotic structure of the Kohn-Sham exchange potential v(x) (r) in the classically forbidden r...
Several semilocal exchange potentials usually employed in the framework of density-functional theory...
26 p., 7 figurasThe position-dependent exact-exchange energy per particle epsilon(x)(z) (defined as ...
We derive asymptotically exact results for the charge and spin densities far away from finite system...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
Exact-exchange self-consistent calculations of the Kohn-Sham potential, surface energy, and work fun...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correla...
25 p., 9 figurasExact-exchange self-consistent calculations of the Kohn-Sham potential, surface ener...