Generalized Filinov transformation of the semiclassical initial value representation

Citation
Hb. Wang et al., Generalized Filinov transformation of the semiclassical initial value representation, J CHEM PHYS, 115(14), 2001, pp. 6317-6326
Citations number
76
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
115
Issue
14
Year of publication
2001
Pages
6317 - 6326
Database
ISI
SICI code
0021-9606(20011008)115:14<6317:GFTOTS>2.0.ZU;2-0
Abstract
An efficient method is proposed for the practical solution of the "sign" pr oblem for integrals involved in the semiclassical initial value representat ion. It is based on a generalization of the conventional Filinov filtering procedure which has the (approximate) effect of incorporating complex initi al conditions into the phase space average; it does this by including an ex plicit oscillatory term in the filtering function that partially cancels th e oscillatory part of the original integrand. A systematic procedure is als o described for making an optimal choice of the "smoothing parameters," thu s removing this arbitrariness in the overall approach. Tests on systems wit h chaotic dynamics demonstrate the accuracy and efficiency of the method. ( C) 2001 American Institute of Physics.