Thermalized LDA correction to zero-temperature exchange-correlation energy

ORAL

Abstract

Developing accurate thermalized exchange-correlation functionals is essential for studying systems such as warm dense matter. Common approximations, like the zero-temperature approximation, neglect explicit temperature dependence in the exchange-correlation free energy, incorporating only implicit dependence through the density. This work introduces an LDA-like correction to the zero-temperature approximation that approximates the explicit temperature dependence of the exchange-correlation entropy. Results using this method and comparisons with the zero-temperature approximation will be presented.

Presenters

  • Brianna Aguilar-Solis

    • University of California, Merced

Authors

  • Brianna Aguilar-Solis

    • University of California, Merced
  • Brittany P Harding

    • University of California, Merced
  • Aurora Pribram-Jones

    • University of California, Merced