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physics.chem-ph2026
Exact tunneling splittings from path-integral hybrid Monte Carlo with enveloping bridging potentials
Yu-Chen Wang, Jeremy O. Richardson
A path-integral hybrid Monte Carlo approach with enveloping bridging potentials (PIHMC-EBP) is proposed for calculating numerically exact tunneling splittings in molecular systems.…
physics.chem-ph2026
Exact tunneling splittings of rotationally excited states from symmetrized path-integral molecular dynamics
Lea Zupan, Yu-Chen Wang, Jeremy O. Richardson
We extend our previous symmetrized path-integral molecular dynamics approach to calculate tunneling splittings of molecules in rotationally excited states. In this new formalism, t…