Issue 32, 2011

Forward–backward semiclassical and quantum trajectory methods for time correlation functions

Abstract

Forward–backward trajectory formulations of time correlation functions are reviewed. Combination of the forward and reverse time evolution operators within the time-dependent semiclassical approximation minimizes phase cancellation, giving rise to an efficient methodology for simulating the dynamics of low-temperature fluids. A quantum mechanical version of the forward–backward formulation, based on the hydrodynamic formulation of time-dependent quantum mechanics, is also available but is practical only for small systems.

Graphical abstract: Forward–backward semiclassical and quantum trajectory methods for time correlation functions

Article information

Article type
Perspective
Submitted
02 Nov 2010
Accepted
12 May 2011
First published
07 Jul 2011

Phys. Chem. Chem. Phys., 2011,13, 14442-14452

Forward–backward semiclassical and quantum trajectory methods for time correlation functions

N. Makri, Phys. Chem. Chem. Phys., 2011, 13, 14442 DOI: 10.1039/C0CP02374D

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