Reduced density matrix functional for many-electron systems
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Generalized Pauli constraints in reduced density matrix functional theory.Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?Communication: chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective.Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory.The extended Koopmans' theorem: vertical ionization potentials from natural orbital functional theory.Comprehensive benchmarking of density matrix functional approximations.Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerations.Avoiding the 4-index transformation in one-body reduced density matrix functional calculations for separable functionals.Quasi-particle energy spectra in local reduced density matrix functional theory.Natural occupation numbers: when do they vanish?Fractional spin in reduced density-matrix functional theory.A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems.Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equationsChallenges in truncating the hierarchy of time-dependent reduced density matrices equationsPhysical meaning of the natural orbitals: Analysis of exactly solvable modelsReduced-density-matrix-functional theory at finite temperature: Theoretical foundationsSpectral Density and Metal-Insulator Phase Transition in Mott Insulators within Reduced Density Matrix Functional TheoryIonization potentials and electron affinities from reduced-density-matrix functional theoryDiscontinuities of the Chemical Potential in Reduced Density Matrix Functional TheoryNoncollinear spin-spiral phase for the uniform electron gas within reduced-density-matrix-functional theoryDensity-matrix-power functional: Performance for finite systems and the homogeneous electron gasDiscontinuity of the chemical potential in reduced-density-matrix-functional theory for open-shell systemsNonuniqueness of algebraic first-order density-matrix functionals
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Reduced density matrix functional for many-electron systems
description
article
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im November 2008 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
@nl
наукова стаття, опублікована в листопаді 2008
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name
Reduced density matrix functional for many-electron systems
@en
Reduced density matrix functional for many-electron systems
@nl
type
label
Reduced density matrix functional for many-electron systems
@en
Reduced density matrix functional for many-electron systems
@nl
prefLabel
Reduced density matrix functional for many-electron systems
@en
Reduced density matrix functional for many-electron systems
@nl
P2093
P2860
P1433
P1476
Reduced density matrix functional for many-electron systems
@en
P2093
J. K. Dewhurst
N. N. Lathiotakis
P2860
P356
10.1103/PHYSREVB.78.201103
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P577
2008-11-24T00:00:00Z