Density functional theory (DFT) has greatly expanded our ability to affordably compute and understand electronic ground states, by replacing intractable {\em ab initio} calculations by models based on paradigmatic physics from high- and low-density limits. But, a comparable treatment of excited states lags behind. Here, we solve this outstanding problem by employing a generalization of density functional theory to ensemble states (EDFT). We thus address important paradigmatic cases of all electronic systems in strongly (low-density) and weakly (high-density) correlated regimes. We show that the high-density limit connects to recent, exactly-solvable EDFT results. The low-density limit reveals an unnoticed and most unexpected result -- densi...
Density functional theory or DFT is presently the most popular route for computing the electronic st...
Time-dependent density functional theory has become state-of-the-art for describing photophysical an...
We investigate an extension of excited-state mean-field theory in which the energy expression is aug...
Density functional theory can be extended to excited states by means of a unified variational approa...
Density functional theory can be generalized to mixtures of ground and excited states, for the purpo...
This article discusses the reasons behind the apparent lack of success of density functional theory ...
We explain by quantal density functional theory the physics of mapping from any bound nondegenerate ...
International audienceWe show how every bound state of a finite system of identical fermions, whethe...
AbstractWe show how every bound state of a finite system of identical fermions, whether a ground sta...
Density functional theory (DFT) based modeling of electronic excited states is of importance for inv...
We present an alternative to the Kohn-Sham formulation of density-functional theory for the ground-s...
Making use of the recently developed excited state charge displacement analysis [E. Ronca et al., J....
In the last three years, the mathematical structure of the strong-interaction limit of density funct...
The quantal density functional theory (Q‐DFT) of excited states is the description of the physics of...
A new method for extracting ensemble Kohn-Sham potentials from accurate excited state densities is a...
Density functional theory or DFT is presently the most popular route for computing the electronic st...
Time-dependent density functional theory has become state-of-the-art for describing photophysical an...
We investigate an extension of excited-state mean-field theory in which the energy expression is aug...
Density functional theory can be extended to excited states by means of a unified variational approa...
Density functional theory can be generalized to mixtures of ground and excited states, for the purpo...
This article discusses the reasons behind the apparent lack of success of density functional theory ...
We explain by quantal density functional theory the physics of mapping from any bound nondegenerate ...
International audienceWe show how every bound state of a finite system of identical fermions, whethe...
AbstractWe show how every bound state of a finite system of identical fermions, whether a ground sta...
Density functional theory (DFT) based modeling of electronic excited states is of importance for inv...
We present an alternative to the Kohn-Sham formulation of density-functional theory for the ground-s...
Making use of the recently developed excited state charge displacement analysis [E. Ronca et al., J....
In the last three years, the mathematical structure of the strong-interaction limit of density funct...
The quantal density functional theory (Q‐DFT) of excited states is the description of the physics of...
A new method for extracting ensemble Kohn-Sham potentials from accurate excited state densities is a...
Density functional theory or DFT is presently the most popular route for computing the electronic st...
Time-dependent density functional theory has become state-of-the-art for describing photophysical an...
We investigate an extension of excited-state mean-field theory in which the energy expression is aug...