The Journal of chemical physics
The limits of Feynman-Hibbs corrections in capturing quantum-nuclear contributions to thermophysical properties.
Vegard G Jervell, Øivind Wilhelmsen
Published: 202510.1063/5.0295049
Abstract
Feynman-Hibbs (FH) corrected interaction potentials provide an efficient route to approximating quantum-nuclear effects on properties of fluids and solids at cryogenic temperatures. In this study, we aim to provide insight into which FH order to choo…
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