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Forward-backward semiclassical initial value series representation of quantum correlation functions.
- Source :
-
Journal of Chemical Physics . 10/28/2006, Vol. 125 Issue 16, p164104. 13p. 5 Graphs. - Publication Year :
- 2006
-
Abstract
- The forward-backward (FB) approximation as applied to semiclassical initial value representations (SCIVR’s) has enabled the practical application of the SCIVR methodology to systems with many degrees of freedom. However, to date a systematic representation of the exact quantum dynamics in terms of the FB-SCIVR has proven elusive. In this paper, we provide a new derivation of a forward-backward phase space SCIVR expression (FBPS-SCIVR) derived previously by Thompson and Makri [Phys. Rev. E 59, R4729 (1999)]. This enables us to represent quantum correlation functions exactly in terms of a series whose leading order term is the FBPS-SCIVR expression. Numerical examples for systems with over 50 degrees of freedom are presented for the spin boson problem. Comparison of the FBPS-SCIVR with the numerically exact results of Wang [J. Chem. Phys. 113, 9948 (2000)] obtained using a multiconfigurational time dependent method shows that the leading order FBPS-SCIVR term already provides an excellent approximation. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 125
- Issue :
- 16
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 22988421
- Full Text :
- https://doi.org/10.1063/1.2358985