The Gauss-Hermite basis set in a tunneling problem

Authors
Adhikari, S Billing, GD
Citation
S. Adhikari et Gd. Billing, The Gauss-Hermite basis set in a tunneling problem, CHEM P LETT, 309(3-4), 1999, pp. 249-256
Citations number
16
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
309
Issue
3-4
Year of publication
1999
Pages
249 - 256
Database
ISI
SICI code
0009-2614(19990813)309:3-4<249:TGBSIA>2.0.ZU;2-0
Abstract
We have investigated the dynamics of a reaction coordinate with or without coupling to a heat bath of harmonic oscillators using the classical path th eory based on the Hermite correction to Gaussian wavepackets introduced by Billing. The agreement of the tunneling probability with exact numbers demo nstrates the validity of the proposed method which is our main objective in this Letter. (C) 1999 Elsevier Science B.V. All rights reserved.