The density functional theory proposed earlier for excited states of Coulomb systems is discussed. The localized Hartree–Fock (LHF) and the Krieger, Li, and Iafrate (KLI) methods combined with correlation are generalized for excited states. Illustrative examples include some highly excited states of Li and Na atoms
The quantal density functional theory (Q‐DFT) of excited states is the description of the physics of...
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...
A constrained optimized effective potential (COEP) methodology proposed earlier by us for singly low...
Recent applications of covariant density functional theory (CDFT) for the description of excited sta...
We explain by quantal density functional theory the physics of mapping from any bound nondegenerate ...
This article discusses the reasons behind the apparent lack of success of density functional theory ...
Electronic energies and densities corresponding to various inner-shell transitions have been calcula...
This article discusses the reasons behind the apparent lack of success of density functional theory ...
Triply excited states of many-electron atomic systems are characterized by the presence of strong el...
The exchange-correlation potential associated with excited-state density functional theory is studie...
Density functional theory can be extended to excited states by means of a unified variational approa...
The first-principles calculations of potential-energy surfaces were performed for excited states in ...
Global reactivity parameters like the softness and the polarizability and local reactivity parameter...
The quantal density-functional theory (Q-DFT) of nondegenerate excited-states maps the pure state of...
The quantal density functional theory (Q‐DFT) of excited states is the description of the physics of...
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...
A constrained optimized effective potential (COEP) methodology proposed earlier by us for singly low...
Recent applications of covariant density functional theory (CDFT) for the description of excited sta...
We explain by quantal density functional theory the physics of mapping from any bound nondegenerate ...
This article discusses the reasons behind the apparent lack of success of density functional theory ...
Electronic energies and densities corresponding to various inner-shell transitions have been calcula...
This article discusses the reasons behind the apparent lack of success of density functional theory ...
Triply excited states of many-electron atomic systems are characterized by the presence of strong el...
The exchange-correlation potential associated with excited-state density functional theory is studie...
Density functional theory can be extended to excited states by means of a unified variational approa...
The first-principles calculations of potential-energy surfaces were performed for excited states in ...
Global reactivity parameters like the softness and the polarizability and local reactivity parameter...
The quantal density-functional theory (Q-DFT) of nondegenerate excited-states maps the pure state of...
The quantal density functional theory (Q‐DFT) of excited states is the description of the physics of...
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...
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