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

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    7 Citations (Scopus)

    Abstract

    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

    Original languageEnglish
    Article number035104
    Number of pages6
    JournalPhysical Review B
    Volume84
    Issue number3
    DOIs
    Publication statusPublished - 15 Jul 2011
    Publication typeA1 Journal article-refereed

    Funding

    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.

    Keywords

    • OCTOPUS
    • TOOL

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