TIME-DEPENDENTQUANTUMMETHODS FORLARGESYSTEMS
- 1 October 1999
- journal article
- Published by Annual Reviews in Annual Review of Physical Chemistry
- Vol. 50 (1) , 167-191
- https://doi.org/10.1146/annurev.physchem.50.1.167
Abstract
This review focuses on time-dependent methods suitable for simulating the quantum dynamics of processes in large clusters and condensed-phase environments. A number of mean field, quantum-classical, and quantum statistical approximations that avoid the conventional exponential scaling with the number of degrees of freedom are reviewed. In addition, rigorous semiclassical and path integral approaches are described that are feasible in certain physical situations. Select chemical applications illustrating the capabilities of these methods are discussed.Keywords
This publication has 121 references indexed in Scilit:
- Filtered propagator functional for iterative dynamics of quantum dissipative systemsComputer Physics Communications, 1997
- Condensed phase spectroscopy from mixed-order semiclassical molecular dynamics: Absorption, emission, and resonant Raman spectra of I2 isolated in solid KrThe Journal of Chemical Physics, 1996
- Multi-Electronic-State Molecular Dynamics: A Wave Function Approach with ApplicationsThe Journal of Physical Chemistry, 1996
- Mixed quantum wave packet/classical trajectory treatment of the photodissociation process ArHCl→Ar+H+ClThe Journal of Chemical Physics, 1992
- A test of the possibility of calculating absorption spectra by mixed quantum-classical methodsThe Journal of Chemical Physics, 1992
- Methods for simulating time correlation functions in quantum systemsComputer Physics Communications, 1991
- Nonadiabatic processes in condensed matter: semi-classical theory and implementationComputer Physics Communications, 1991
- Feynman path integration in quantum dynamicsComputer Physics Communications, 1991
- Quantum simulation of hydrogen in metalsPhysical Review Letters, 1987
- Exact time-dependent wave packet propagation: Application to the photodissociation of methyl iodideThe Journal of Chemical Physics, 1982