APS Logo

Analyzing exchange-correlation temperature dependence via the generalized thermal adiabatic connection

ORAL

Abstract

The warm-dense matter regime is an intermediate phase of matter that blurs the boundary between solids and plasmas, with characteristics of both presenting unique theoretical challenges. We combine the formalism of the adiabatic connection, which allows us to smoothly navigate from the non-interacting Kohn-Sham system to the real, fully interacting system of interest, with additional entropic contributions to approximate the finite-temperature exchange-correlation free energy. I will present equations describing these entropic contributions using the generalized thermal adiabatic connection. Evaluation of the approximation will be preformed using the half-filled Hubbard dimer at large on-site interaction strength to test the accuracy of the GTAC approaches for the strongly correlated regime.

Publication: Z. Mauri, B. Harding, A. Pribram-Jones, "Weak, physical, and strong interaction via the generalized thermal adiabatic connection," planned manuscript.

Presenters

  • Zachary N Mauri

    University of California, Merced

Authors

  • Zachary N Mauri

    University of California, Merced

  • Aurora Pribram-Jones

    University of California, Merced, University of CA, Merced