PIHMC-EBP enables numerically exact tunneling splitting calculations via barrierless bridging potentials and tailored Monte Carlo updates, yielding record precision for malonaldehyde, HCl dimer, and water dimer at substantially lower cost.
Spectra of water dimer from a newab initiopotential with flexible monomers,
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Exact tunneling splittings from path-integral hybrid Monte Carlo with enveloping bridging potentials
PIHMC-EBP enables numerically exact tunneling splitting calculations via barrierless bridging potentials and tailored Monte Carlo updates, yielding record precision for malonaldehyde, HCl dimer, and water dimer at substantially lower cost.