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- W2020775902 abstract "It is known in density-functional theory that the noninteracting kinetic-energy density functional ${T}_{s}[ensuremath{rho}]$ is not first-degree homogeneous in density scaling. However, it is shown here that, for every particle number N, there is an N-particle noninteracting kinetic-energy density functional ${T}_{N}[ensuremath{rho}],$ that is, a density functional that gives the noninteracting kinetic energy for N-particle densities, which is of first-degree homogeneity in the density $ensuremath{rho}(stackrel{ensuremath{rightharpoonup}}{r}).$ This gives a powerful tool, a strong requirement, for constructing such functionals. A systematic procedure to obtain the real part of ${T}_{N}[ensuremath{rho}],$ the full ${T}_{N}[ensuremath{rho}]$ in one-dimension, for each N is also proposed. It is pointed out, further, that in the Euler-Lagrange equations that determine the one-particle orbitals that define ${T}_{s}[ensuremath{rho}],$ the Lagrange multiplier that forces the orbitals to yield $ensuremath{rho}(stackrel{ensuremath{rightharpoonup}}{r})$ is not other than the first derivative of ${T}_{s}[ensuremath{rho}],$ $ensuremath{delta}{T}_{s}[ensuremath{rho}]/ensuremath{delta}ensuremath{rho}(stackrel{ensuremath{rightharpoonup}}{r}),$ which yields a natural derivation of the Kohn-Sham equations. Utilizing the same idea, it is shown for ground states how the Schrodinger equation can be derived from the basics of density-functional theory as well." @default.
- W2020775902 created "2016-06-24" @default.
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- W2020775902 date "2001-11-16" @default.
- W2020775902 modified "2023-10-16" @default.
- W2020775902 title "First-degree homogeneous<i>N</i>-particle noninteracting kinetic-energy density functionals" @default.
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- W2020775902 doi "https://doi.org/10.1103/physreva.64.062503" @default.
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