Chemical reaction computations using the quantum-potential method

Citation
Tm. Rocha et Jjs. Neto, Chemical reaction computations using the quantum-potential method, INT J THEOR, 39(6), 2000, pp. 1629-1635
Citations number
13
Categorie Soggetti
Physics
Journal title
INTERNATIONAL JOURNAL OF THEORETICAL PHYSICS
ISSN journal
00207748 → ACNP
Volume
39
Issue
6
Year of publication
2000
Pages
1629 - 1635
Database
ISI
SICI code
0020-7748(200006)39:6<1629:CRCUTQ>2.0.ZU;2-M
Abstract
We apply the quantum potential approach in quantum mechanics to compute rea ction times in the H-H, collinear collision. The latter is obtained from th e wave function of the system that is obtained by numerically integrating t he time-dependent Schradinger equation using the split-operator scheme. The equations of motion for the quantum trajectory are integration using a fou rth-order Runge-Kutta scheme and possible applications to other situations are discussed.