Using a constructive approach, it is shown that the asymptotics of the exchange and exchange-correlation potentials and energy densities of finite systems must decay asymptotically to zero as the inverse of the distance. By the traditional inversion approach there appears an undetermined constant in obtaining those potentials, which must be fixed to zero, otherwise it causes a shift in the electronic energy proportional to the number of electrons. It is shown that the requirement of non-zero constant asymptotics for newly developed exchange and exchange-correlation potentials also leads to the unphysical result that the exchange and exchange-correlation energy-density is a non-zero constant in the zero electron density limit
A simple algorithm is presented to derive accurately the exchange-correlation potential in the densi...
In this paper we will address the question of how to obtain energies from functionals when only the ...
We show that the exact exchange-correlation potential of time-dependent density-functional theory di...
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...
We derive asymptotically exact results for the charge and spin densities far away from finite system...
The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in t...
We investigate the asymptotic behavior of the exchange-correlation potentials deriving from orbital-...
In this work we studied a new functional for the correlation energy obtained from the exact-exchange...
We provide the expression of the exchange-correlation potential in the adiabatic connection fluctuat...
We study the properties of the lower bound on the exchange-correlation energy in two dimensions. Fir...
A simple algorithm is presented to derive accurately the exchange-correlation potential in the densi...
A simple algorithm is presented to derive accurately the exchange-correlation potential in the densi...
In this paper we will address the question of how to obtain energies from functionals when only the ...
We show that the exact exchange-correlation potential of time-dependent density-functional theory di...
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...
We derive asymptotically exact results for the charge and spin densities far away from finite system...
The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in t...
We investigate the asymptotic behavior of the exchange-correlation potentials deriving from orbital-...
In this work we studied a new functional for the correlation energy obtained from the exact-exchange...
We provide the expression of the exchange-correlation potential in the adiabatic connection fluctuat...
We study the properties of the lower bound on the exchange-correlation energy in two dimensions. Fir...
A simple algorithm is presented to derive accurately the exchange-correlation potential in the densi...
A simple algorithm is presented to derive accurately the exchange-correlation potential in the densi...
In this paper we will address the question of how to obtain energies from functionals when only the ...
We show that the exact exchange-correlation potential of time-dependent density-functional theory di...