Performance of one-body reduced density matrix functionals for the homogeneous electron gas
نویسنده
چکیده
N.N. Lathiotakis, 2 N.Helbig, 2, 3, 4 and E.K.U. Gross 2 Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany European Theoretical Spectroscopy Facility Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany Unité de Physico-Chimie et de Physique des Materiéaux, Université Catholique de Louvain, B-1348 Louvain-la-Neuve, Belgium
منابع مشابه
A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems.
An approximation for the exchange-correlation energy of reduced-density-matrix-functional theory was recently derived from a study of the homogeneous electron gas [N. N. Lathiotakis, N. Helbig, and E. K. U. Gross, Phys. Rev. B 75, 195120 (2007)]. In the present work, we show how this approximation can be extended appropriately to finite systems, where the Wigner Seitz radius r(s), the parameter...
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