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Separable Force Matching of PBE0 Hybrid-Functional Reference Forces for Path-Integral Simulations of Liquid Water
ref [10] · 2605.25081 · notice #2889 · dispute
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T. Spura, H. Elgabarty, T. D. Kühne, “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer,Phys. Chem. Chem. Phys.17, 14355–14359 (2015).https://doi.org/10.1039/C4CP05192K