More than 200 low-lying and moderately high-lying doubly excited states (L.3Se, 3P0, L.3De, L.3F0, LGe) of He-isoelectronic systems (Z = 2 - 5) have been studied in the nonrelativistic Hohenberg - Kohn - Sham density-functional framework by incorporating the nonvariational work-function exchange potential suggested by Harbola and Sahni and a simple parametrized local Wigner-type correlation functional. In essence, a Kohn - Sham-type equation has been solved numerically. Our results on excited-state energies, excitation energies and differences between excitation energies are in good agreement with available experimental and theoretical results. In 50% of cases, the percentage deviation in the calculated excitation energy is less than unity....
International audienceThe X(2)Σ ground and the A(2)Π and B(2)Σ first two excited states of Li-He and...
The density functional theory proposed earlier for excited states of Coulomb systems is discussed. T...
The optimized effective potential (OEP) method allows orbital-dependent functionals to be used in de...
More than 200 low-lying and moderately high-lying doubly excited states (L.3Se, 3P0, L.3De, L.3F0, L...
This is the published version, also available here: http://dx.doi.org/10.1103/PhysRevA.65.052508.Nea...
This is the published version, also available here: http://dx.doi.org/10.1103/PhysRevA.65.052508.Nea...
Several doubly excited autoionizing states of He have been calculated within the density functional ...
Triply excited states of many-electron atomic systems are characterized by the presence of strong el...
Self-consistent density-functional calculations, in an exchange-only framework, are reported for the...
The exchange-correlation potential associated with excited-state density functional theory is studie...
Electronic energies and densities corresponding to various inner-shell transitions have been calcula...
We consider two perturbative schemes to calculate excitation energies, each employing the Kohn-Sham ...
Global reactivity parameters like the softness and the polarizability and local reactivity parameter...
A constrained optimized effective potential (COEP) methodology proposed earlier by us for singly low...
By employing a simple density-functional approach, low-lying singly excited states of several open-s...
International audienceThe X(2)Σ ground and the A(2)Π and B(2)Σ first two excited states of Li-He and...
The density functional theory proposed earlier for excited states of Coulomb systems is discussed. T...
The optimized effective potential (OEP) method allows orbital-dependent functionals to be used in de...
More than 200 low-lying and moderately high-lying doubly excited states (L.3Se, 3P0, L.3De, L.3F0, L...
This is the published version, also available here: http://dx.doi.org/10.1103/PhysRevA.65.052508.Nea...
This is the published version, also available here: http://dx.doi.org/10.1103/PhysRevA.65.052508.Nea...
Several doubly excited autoionizing states of He have been calculated within the density functional ...
Triply excited states of many-electron atomic systems are characterized by the presence of strong el...
Self-consistent density-functional calculations, in an exchange-only framework, are reported for the...
The exchange-correlation potential associated with excited-state density functional theory is studie...
Electronic energies and densities corresponding to various inner-shell transitions have been calcula...
We consider two perturbative schemes to calculate excitation energies, each employing the Kohn-Sham ...
Global reactivity parameters like the softness and the polarizability and local reactivity parameter...
A constrained optimized effective potential (COEP) methodology proposed earlier by us for singly low...
By employing a simple density-functional approach, low-lying singly excited states of several open-s...
International audienceThe X(2)Σ ground and the A(2)Π and B(2)Σ first two excited states of Li-He and...
The density functional theory proposed earlier for excited states of Coulomb systems is discussed. T...
The optimized effective potential (OEP) method allows orbital-dependent functionals to be used in de...