A separable force-matching protocol fits flexible four-site water models to PBE0 reference forces, eliminating linear parameters analytically and producing stable potentials whose radial distributions match benchmarks.
Markland and David E
2 Pith papers cite this work, alongside 431 external citations. Polarity classification is still indexing.
2
Pith papers citing it
431
external citations · OpenAlex
fields
physics.chem-ph 2years
2026 2representative citing papers
citing papers explorer
-
Separable Force Matching of PBE0 Hybrid-Functional Reference Forces for Path-Integral Simulations of Liquid Water
A separable force-matching protocol fits flexible four-site water models to PBE0 reference forces, eliminating linear parameters analytically and producing stable potentials whose radial distributions match benchmarks.
- Economised path integrals