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physics.chem-ph2025
From Densities to Potentials: Benchmarking Local Exchange-Correlation Approximations
Visagan Ravindran, Clio Johnson, Neil D. Drummond +2
Using the Kohn-Sham (KS) inversion method of Hollins et al. [J. Phys.: Condens. Matter 29, 04LT01 (2017)], we invert densities from variational and diffusion quantum Monte Carlo (Q…
cond-mat.str-el2025★ 1 cited
Magnetism in NbS ( = Fe, V, Mn): insight into intercalated transition-metal dichalcogenides using SR
N. P. Bentley, T. L. Breeze, A. Hernández-Melián +8
We present the results of muon-spin relaxation (SR) measurements of the static and dynamic magnetism of NbS ( = Fe, V, Mn), three intercalated transition-metal d…