633 citations · 3.9k across the 58 of their papers we have counts for
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physics.chem-ph2024★ 2 cited
Coupling-Constant Averaged Exchange-Correlation Hole for He, Li, Be, N, Ne Atoms from CCSD
Lin Hou, Tom J. P. Irons, Yanyong Wang +3
Accurate approximation of the exchange-correlation (XC) energy in density functional theory (DFT) calculations is essential for reliably modelling electronic systems. Many such app…
cond-mat.str-el2024
First-principles phase diagram of an interacting ionic chain
Jamin Kidd, Ruiqi Zhang, Shao-Kai Jian +1
The widely-used Kohn-Sham implementation of density functional theory (DFT) maps a system of interacting electrons onto an auxiliary non-interacting one and is presumably inaccurat…