APPLICATION OF TOEPLITZ MATRICES TO SCATTERING PROCESSES - A NIP-TOEPLITZ APPROACH TO TREATING CHEMICAL-REACTIONS

Authors
CHARUTZ DM RON S EISENBERG E BAER M
Citation
Dm. Charutz et al., APPLICATION OF TOEPLITZ MATRICES TO SCATTERING PROCESSES - A NIP-TOEPLITZ APPROACH TO TREATING CHEMICAL-REACTIONS, Chemical physics letters, 244(3-4), 1995, pp. 299-304
Citations number
40
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
244
Issue
3-4
Year of publication
1995
Pages
299 - 304
Database
ISI
SICI code
0009-2614(1995)244:3-4<299:AOTMTS>2.0.ZU;2-1
Abstract
In this work a new approach to treating reactive (exchange) processes is presented. It is based on the ability of negative imaginary potenti als (NIP) to decouple products arrangements without causing reflection and on the asymptotic behavior of the Hamiltonian which turns into a Toeplitz operator. The theory is developed within the discrete variabl e representation(DVR). This mixed approach is tested for the collinear H+H-2 reactive system for which accurate results were obtained.