Physical Review Letters · 2000 · 86 citations · 15 references
Natural SciencesPhysicsCondensed Matter PhysicsMolecular PhysicsQuantum MechanicsHydrogen AtomMolecular DynamicsMolecular Quantum MechanicsPath Integral Molecular DynamicsQuantum Effects In Hydrogen Bonding
The origin of the well-defined collective excitations found in liquid para-H2 by recent experiments is investigated. The persistence of their relatively long lifetimes down to microscopic scales is well accounted for by calculations carried out by means of path-integral-centroid molecular dynamics. In contrast only overdamped excitations are found in calculations carried within the classical limit. The results provide fully quantitative evidence of quantum effects on the dynamics of a simple liquid.
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Explicit reversible integrators for extended systems dynamics
Glenn Martyna, Mark E. Tuckerman, Douglas J. Tobias et al. · Molecular Physics · 1996 · 1.8K citations