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Kinetic energy functional constructed from exact gradient expansion of second order in uniform gas limit

Bhattacharjee, Abhishek et al.
arXiv (All) · Papers
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materials-science
Orbital-Free Density Functional Theory (OFDFT) has re-emerged as a viable alternative to Kohn-Sham DFT, driven by recent advances in kinetic energy density functionals (KEDFs). Nonlocal (NL) KEDFs have significantly extended OFDFT's applicability, particularly for bulk solids, but their high computa
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