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.
Original language | English (US) |
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Pages (from-to) | 14442-14452 |
Number of pages | 11 |
Journal | Physical Chemistry Chemical Physics |
Volume | 13 |
Issue number | 32 |
DOIs | |
State | Published - Aug 28 2011 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry