Time-dependent quantum methods for large systems.
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.
Makri
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School of Chemical Sciences, University of Illinois, Urbana, IL 61801, USA. nancy@makri.scs.uiuc.edu