Ab initio path-integral molecular dynamics
- 1 June 1994
- journal article
- rapid note
- Published by Springer Nature in Zeitschrift für Physik B Condensed Matter
- Vol. 95 (2), 143-144
- https://doi.org/10.1007/bf01312185
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Nosé–Hoover chains: The canonical ensemble via continuous dynamicsThe Journal of Chemical Physics, 1992
- Adiabaticity in first-principles molecular dynamicsPhysical Review B, 1992
- Phase transitions in two-dimensional fluids with internal quantum statesPhysical Review Letters, 1991
- Molecular dynamics without effective potentials via the Car-Parrinello approachMolecular Physics, 1990
- The H+5 potential energy hypersurface: Characterization of ten distinct energetically low-lying stationary pointsThe Journal of Chemical Physics, 1987
- On the Simulation of Quantum Systems: Path Integral MethodsAnnual Review of Physical Chemistry, 1986
- Path-integral computation of the low-temperature properties of liquidPhysical Review Letters, 1986
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985
- Nonergodicity in path integral molecular dynamicsThe Journal of Chemical Physics, 1984
- Study of an F center in molten KClThe Journal of Chemical Physics, 1984