Non-Empirical Orbital-Free Approximations from Semiclassical Approaches

ORAL

Abstract

We present a selection of results up to exchange effects obtained from semiclassical approximations aiming at enabling non-empirical and accurate orbital-free methods in models of electronic nanostructures. Insights for improving or better understanding popular density-functional theory approximations will be analyzed.

*S.P. and K.B. are supported by NSF Grant No. CHE-1112442.

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Authors

  • Stefano Pittalis

    • Department of Chemistry, University of California, Irvine, California 92697, USA

  • A. Cangi

    • Max-Planck-Institut fuer Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany

  • C.R. Proetto

    • Centro Atomico Bariloche and Instituto Balseiro, 8400 San Carlos de Bariloche, Rio Negro, Argentina

  • E.K.U. Gross

    • Max-Planck-Institut fuer Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany

  • K. Burke

    • Department of Chemistry and Department of Physics, University of California, Irvine, California 92697, USA