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.
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Presenters
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Brianna Aguilar-Solis
- University of California, Merced