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Constraints of reduced density-matrix functional theory for the two-dimensional homogeneous electron gas

    Tutkimustuotos: ArtikkeliTieteellinenvertaisarvioitu

    7 Sitaatiot (Scopus)

    Abstrakti

    Reduced density-matrix functional theory (RDMFT) has become an appealing alternative to density-functional theory to describe electronic properties of strongly correlated systems. Here we derive exact conditions for the suitability of RDMFT to describe the two-dimensional homogeneous electron gas, which is the base system for semiconductor quantum dots and quantum Hall devices, for example. Following the method of Cioslowski and Pernal [J. Chem. Phys. 111, 3396 (1999)] we focus on the properties of power functionals of the form f(n, n') = (nn')alpha for the scaling function in the exchange-correlation energy. We show that in order to have stable and analytic solutions, and for f to satisfy the homogeneous scaling constraint, the power is restricted to 1/4

    AlkuperäiskieliEnglanti
    Artikkeli035104
    Sivumäärä6
    JulkaisuPhysical Review B
    Vuosikerta84
    Numero3
    DOI - pysyväislinkit
    TilaJulkaistu - 15 heinäk. 2011
    OKM-julkaisutyyppiA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

    Rahoitus

    We thank Katarzyna Pernal, Klaas Giesbertz, Robert van Leeuwen, and Florian Eich for helpful comments and useful discussions. This work has been supported by the Academy of Finland.

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