Connecting Quantum and Classical DFT

ORAL

Abstract

Because particles are distinguishable in classical DFT, one can relate the pair correlation function of a uniform system to the density response of an inhomogeneous system, in which one of the particles is considered an external impurity. We apply the same reasoning as an uncontrolled approximation to estimate the pair correlation function of a uniform quantum electron gas, assuming one of the electrons can be distinguished from all others (a ``blue" electron). The errors in this approximation should shrink with increasing temperature. We report the accuracy and limitations of this approach.

*DOE grant number DE-FG02-08ER46496

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Presenters

  • Dennis Perchak

    • Chemistry, University of California

Authors

  • Dennis Perchak

    • Chemistry, University of California

  • Kieron Burke

    • Physics and Chemistry, Univ of California - Irvine
    • Chemistry, Univ of California - Irvine
    • University of California Irvine
    • Chemistry, University of California
    • Chemistry, University of California, Irvine
    • University of California, Irvine
    • Univ of California - Irvine
    • Department of Chemistry, University of California-Irvine