Hermitian one-particle density matrix through a semiclassical gradient expansion

K. Bencheikh, E. Räsänen

    Research output: Contribution to journalArticleScientificpeer-review

    3 Citations (Scopus)

    Abstract

    We carry out the semiclassical expansion of the one-particle density matrix up to the second order in h. We use the method of Grammaticos and Voros based on the Wigner transform of operators. We show that the resulting density matrix is Hermitian and idempotent in contrast with the well-known result of the semiclassical Kirzhnits expansion. Our density matrix leads to the same particle density and kinetic energy density as in the literature, and it satisfies the consistency criterion of the Euler equation. The derived Hermitian density matrix clarifies the ambiguity in the usefulness of gradient expansion approximations and might reignite the development of density functionals with semiclassical methods.

    Original languageEnglish
    Article number015205
    JournalJournal of Physics A: Mathematical and Theoretical
    Volume49
    Issue number1
    DOIs
    Publication statusPublished - 9 Dec 2015
    Publication typeA1 Journal article-refereed

    Keywords

    • density matrix
    • density-functional theory
    • Wigner transform

    Publication forum classification

    • Publication forum level 1

    ASJC Scopus subject areas

    • Mathematical Physics
    • General Physics and Astronomy
    • Statistical and Nonlinear Physics
    • Modelling and Simulation
    • Statistics and Probability

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