This article discusses the reasons behind the apparent lack of success of density functional theory (DFT), during the past three decades, with excited states of many-electron systems. It describes various variational and non-variational approaches developed so far for dealing with this problem. Those include Theophilou's equiensemble approach, extended to unequally weighted ensembles by Gross et al., Fritsche's wavefunction partitioning approach, local scaling transformation theory by Kryachko et al., the work-function formalism developed by Harbola and Sahni, etc. Through intimate connections between time-dependence and excited states, under a perturbation, various time-dependent (TD) DFT approaches to excited states, e.g., a quantum fluid...
In warm dense matter (WDM) and dense plasma physics, Density Functional Theory (DFT) has become a st...
Making use of the recently developed excited state charge displacement analysis [E. Ronca et al., J....
Density functional theory (DFT) based modeling of electronic excited states is of importance for inv...
This article discusses the reasons behind the apparent lack of success of density functional theory ...
WOS:000304203500015International audienceThe classic density-functional theory (DFT) formalism intro...
WOS:000304203500015International audienceThe classic density-functional theory (DFT) formalism intro...
WOS:000304203500015International audienceThe classic density-functional theory (DFT) formalism intro...
WOS:000304203500015International audienceThe classic density-functional theory (DFT) formalism intro...
Density functional theory (DFT) based modeling of electronic excited states is of importance for inv...
Density functional theory (DFT) based modeling of electronic excited states is of importance for inv...
In this tutorial review, we show how Time-Dependent Density Functional Theory (TD-DFT) has become a ...
In this tutorial review, we show how Time-Dependent Density Functional Theory (TD-DFT) has become a ...
In this perspective, we present an overview of recent progress on Time-Dependent Density Functional ...
Electronic excitations lie at the origin of most of the commonly measured spectra. However, the firs...
The aim of this chapter is to present constricted variational density functional theory (CV-DFT), a ...
In warm dense matter (WDM) and dense plasma physics, Density Functional Theory (DFT) has become a st...
Making use of the recently developed excited state charge displacement analysis [E. Ronca et al., J....
Density functional theory (DFT) based modeling of electronic excited states is of importance for inv...
This article discusses the reasons behind the apparent lack of success of density functional theory ...
WOS:000304203500015International audienceThe classic density-functional theory (DFT) formalism intro...
WOS:000304203500015International audienceThe classic density-functional theory (DFT) formalism intro...
WOS:000304203500015International audienceThe classic density-functional theory (DFT) formalism intro...
WOS:000304203500015International audienceThe classic density-functional theory (DFT) formalism intro...
Density functional theory (DFT) based modeling of electronic excited states is of importance for inv...
Density functional theory (DFT) based modeling of electronic excited states is of importance for inv...
In this tutorial review, we show how Time-Dependent Density Functional Theory (TD-DFT) has become a ...
In this tutorial review, we show how Time-Dependent Density Functional Theory (TD-DFT) has become a ...
In this perspective, we present an overview of recent progress on Time-Dependent Density Functional ...
Electronic excitations lie at the origin of most of the commonly measured spectra. However, the firs...
The aim of this chapter is to present constricted variational density functional theory (CV-DFT), a ...
In warm dense matter (WDM) and dense plasma physics, Density Functional Theory (DFT) has become a st...
Making use of the recently developed excited state charge displacement analysis [E. Ronca et al., J....
Density functional theory (DFT) based modeling of electronic excited states is of importance for inv...