Description of tunneling with the help of coupled frozen Gaussians

Citation
Dv. Shalashilin et Ms. Child, Description of tunneling with the help of coupled frozen Gaussians, J CHEM PHYS, 114(21), 2001, pp. 9296-9304
Citations number
38
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
114
Issue
21
Year of publication
2001
Pages
9296 - 9304
Database
ISI
SICI code
0021-9606(20010601)114:21<9296:DOTWTH>2.0.ZU;2-4
Abstract
A previous initial value coherent state representation is applied to Gaussi an wave packet propagation on one-dimensional and two-dimensional double we ll potentials. The method uses a basis of trajectory guided frozen Gaussian coherent states, sampled from a Monte Carlo ensemble, for numerical soluti ons of the quantum time dependent integro-differential Schrodinger equation . Accurate tunneling splittings are obtained. Comparisons are also made wit h corresponding results obtained by the Herman-Kluk semiclassical initial v alue representation wave packet method. (C) 2001 American Institute of Phys ics.