The Gunnarsson-Lundqvist (GL) theorem of density functional theory states that there is a one-to-one relationship between the density of the lowest nondegenerate excited state of a given symmetry and the external potential. As a consequence, knowledge of this excited state density determines the external potential uniquely. [The GL theorem is the equivalent for such excited states of theHohenberg-Kohn (HK) theorem for nondegenerate ground states.] For other excited states, there is no equivalent of the GL or HK theorem. For these states, there thus exist multiple potentials that generate the excited-state density. We show, by example, the satisfaction that the GL theorem holds and the multiplicity of potentials for excited states
It is shown that for finite Coulombic systems the density per particle, σ ≡ ρ/N, determines the valu...
The density functional theory proposed earlier for excited states of Coulomb systems is discussed. T...
We analyze the inverse problem of Density Functional Theory using a regularized variational method. ...
The Gunnarsson-Lundqvist (GL) theorem of density functional theory states that there is a one-to-one...
The exact functionals associated with the (singlet) ground and the two singlet excited states of the...
The Hohenberg-Kohn theorem is generalized to the case of a finite system of N electrons in external ...
In local effective potential energy theories such as the Hohenberg-Kohn-Sham density functional theo...
URL:http://link.aps.org/doi/10.1103/PhysRevA.76.012508 DOI:10.1103/PhysRevA.76.012508The Hohenberg-...
We demonstrate for the first time that a functional-renormalization-group aided density-functional t...
We explain by quantal density functional theory the physics of mapping from any bound nondegenerate ...
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...
The premise of density-functional theory is that knowledge of the ground-state density uniquely dete...
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual b...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
It is shown that for finite Coulombic systems the density per particle, σ ≡ ρ/N, determines the valu...
The density functional theory proposed earlier for excited states of Coulomb systems is discussed. T...
We analyze the inverse problem of Density Functional Theory using a regularized variational method. ...
The Gunnarsson-Lundqvist (GL) theorem of density functional theory states that there is a one-to-one...
The exact functionals associated with the (singlet) ground and the two singlet excited states of the...
The Hohenberg-Kohn theorem is generalized to the case of a finite system of N electrons in external ...
In local effective potential energy theories such as the Hohenberg-Kohn-Sham density functional theo...
URL:http://link.aps.org/doi/10.1103/PhysRevA.76.012508 DOI:10.1103/PhysRevA.76.012508The Hohenberg-...
We demonstrate for the first time that a functional-renormalization-group aided density-functional t...
We explain by quantal density functional theory the physics of mapping from any bound nondegenerate ...
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...
The premise of density-functional theory is that knowledge of the ground-state density uniquely dete...
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual b...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
It is shown that for finite Coulombic systems the density per particle, σ ≡ ρ/N, determines the valu...
The density functional theory proposed earlier for excited states of Coulomb systems is discussed. T...
We analyze the inverse problem of Density Functional Theory using a regularized variational method. ...