Quantum dynamics via adiabatic ab initio centroid molecular dynamics
- 31 May 1999
- journal article
- Published by Elsevier in Computer Physics Communications
- Vol. 118 (2-3) , 166-184
- https://doi.org/10.1016/s0010-4655(99)00208-8
Abstract
No abstract availableKeywords
This publication has 50 references indexed in Scilit:
- Path integral simulations of atomic and molecular systemsInternational Reviews in Physical Chemistry, 1997
- Proton-Induced Plasticity in Hydrogen ClustersPhysical Review Letters, 1997
- Explicit reversible integrators for extended systems dynamicsMolecular Physics, 1996
- The Effect of Quantum and Thermal Fluctuations on the Structure of the Floppy Molecule C 2 H 3 +Science, 1996
- Structural quantum effects and three-centre two-electron bonding in CH+5Nature, 1995
- Projector augmented-wave methodPhysical Review B, 1994
- Ab initio path-integral molecular dynamicsZeitschrift für Physik B Condensed Matter, 1994
- Nosé–Hoover chains: The canonical ensemble via continuous dynamicsThe Journal of Chemical Physics, 1992
- Reversible multiple time scale molecular dynamicsThe Journal of Chemical Physics, 1992
- Quantum simulation of hydrogen in metalsPhysical Review Letters, 1987