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Approximate bounds and temperature dependence of adiabatic connection integrands for the uniform electron gas
[post]
2021
unpublished
Thermal density functional theory is commonly used in simulations of warm dense matter, a highly energetic phase characterized by substantial thermal effects and by correlated electrons demanding quantum mechanical treatment. The numerous approximations for the exchange-correlation energy component in zero-temperature density functional theory, though often used in these high-energy-density simulations with Fermi-weighted electronic densities, are known to miss temperature-dependent effects in
doi:10.26434/chemrxiv-2021-j8030
fatcat:aflvqkcgfrabbluro3wtuwinwy