Extension of the Kohn-Sham formulation of density functional theory to finite temperature
Journal of Physics and Chemistry of Solids(2018)
关键词
A. Density functional theory,B. Temperature DFT,C. Excited states in DFT,D. Temperature extension of Kohn-Sham DFT,E. Excited states in Kohn-Sham theory,F. Mermin functional
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