Using the formalism of the conditional amplitude, we study the response part of the exchange-correlation potential in the strong-coupling limit of density functional theory, analyzing its peculiar features and comparing it with the response potential averaged over the coupling constant for small atoms and for the hydrogen molecule. We also use a simple one-dimensional model of a stretched heteronuclear molecule to derive exact properties of the response potential in the strong-coupling limit. The simplicity of the model allows us to unveil relevant features also of the exact Kohn-Sham potential and its different components, namely the appearance of a second peak in the correlation kinetic potential on the side of the most electronegative at...
In the last three years, the mathematical structure of the strong-interaction limit of density funct...
The dissociation of molecules, even the most simple hydrogen molecule, cannot be described accuratel...
Improving the accuracy and thus broadening the applicability of electronic density functional theory...
Using the formalism of the conditional amplitude, we study the response part of the exchange-correla...
Using the formalism of the conditional amplitude, we study the response part of the exchange–correla...
We analyze in depth two widely used definitions (from the theory of conditional probability amplitud...
The response part of the exchange-correlation potential of Kohn–Sham density functional theory plays...
The response part of the exchange-correlation potential of Kohn–Sham density functional theory plays...
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approxi...
The response part of the exchange-correlation potential of Kohn–Sham density functional theory plays...
The augmented potential introduced by Levy and Zahariev [Phys. Rev. Lett. 113, 113002 (2014)] is shi...
The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in t...
We discuss energy densities in the strong-interaction limit of density functional theory, deriving a...
Although Kohn-Sham (KS) density functional theory (DFT) is an exact theory, able in principle to des...
We study one-dimensional model chemical systems (representative of their three-dimensional counterpa...
In the last three years, the mathematical structure of the strong-interaction limit of density funct...
The dissociation of molecules, even the most simple hydrogen molecule, cannot be described accuratel...
Improving the accuracy and thus broadening the applicability of electronic density functional theory...
Using the formalism of the conditional amplitude, we study the response part of the exchange-correla...
Using the formalism of the conditional amplitude, we study the response part of the exchange–correla...
We analyze in depth two widely used definitions (from the theory of conditional probability amplitud...
The response part of the exchange-correlation potential of Kohn–Sham density functional theory plays...
The response part of the exchange-correlation potential of Kohn–Sham density functional theory plays...
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approxi...
The response part of the exchange-correlation potential of Kohn–Sham density functional theory plays...
The augmented potential introduced by Levy and Zahariev [Phys. Rev. Lett. 113, 113002 (2014)] is shi...
The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in t...
We discuss energy densities in the strong-interaction limit of density functional theory, deriving a...
Although Kohn-Sham (KS) density functional theory (DFT) is an exact theory, able in principle to des...
We study one-dimensional model chemical systems (representative of their three-dimensional counterpa...
In the last three years, the mathematical structure of the strong-interaction limit of density funct...
The dissociation of molecules, even the most simple hydrogen molecule, cannot be described accuratel...
Improving the accuracy and thus broadening the applicability of electronic density functional theory...