ON THE GEOMETRIC PHASE EFFECT ON TETRA-ATOMIC REACTIONS - THE OH-2-]H2O+H REACTION(H)

Citation
Gd. Billing et A. Kuppermann, ON THE GEOMETRIC PHASE EFFECT ON TETRA-ATOMIC REACTIONS - THE OH-2-]H2O+H REACTION(H), Chemical physics letters, 294(1-3), 1998, pp. 26-30
Citations number
16
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
294
Issue
1-3
Year of publication
1998
Pages
26 - 30
Database
ISI
SICI code
0009-2614(1998)294:1-3<26:OTGPEO>2.0.ZU;2-N
Abstract
The geometric phase effect on chemical reactions is investigated for a tetra-atomic reaction using classical mechanics and recently develope d row-orthonormal hyperspherical coordinates. The quantum vector poten tial responsible for the proper handling of the phase of the nuclear w avefunction is incorporated in the classical trajectory equations. Thi s provides a simple estimate of the importance of the geometric phase for reaction cross-sections. (C) 1998 Elsevier Science B.V. All rights reserved.