HAMILTON-JACOBI DYNAMICS FOR THE SOLUTION OF TIME-DEPENDENT QUANTUM PROBLEMS .2. WAVE-PACKET PROPAGATION IN 2-DIMENSIONAL, NONLINEARLY COUPLED OSCILLATORS - EXACT AND TIME-DEPENDENT SCF-SOLUTIONS

Citation
T. Gunkel et al., HAMILTON-JACOBI DYNAMICS FOR THE SOLUTION OF TIME-DEPENDENT QUANTUM PROBLEMS .2. WAVE-PACKET PROPAGATION IN 2-DIMENSIONAL, NONLINEARLY COUPLED OSCILLATORS - EXACT AND TIME-DEPENDENT SCF-SOLUTIONS, Berichte der Bunsengesellschaft fur Physikalische Chemie, 98(12), 1994, pp. 1552-1562
Citations number
27
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
ISSN journal
00059021 → ACNP
Volume
98
Issue
12
Year of publication
1994
Pages
1552 - 1562
Database
ISI
SICI code
0005-9021(1994)98:12<1552:HDFTSO>2.0.ZU;2-A
Abstract
Methods for the approximate numerical integration of the time dependen t Schrodinger equation with given initial conditions (the initial wave packet) are presented. The methods are based on the Schrodinger repre sentation of the quantum dynamic system. The quantum dynamic equations are transformed into Hamilton-Jacobi type equations of motion as they occur in multi particle classical dynamics, i.e. standard techniques in molecular dynamics can be applied for the integration. The dynamics of minimum uncertainty Gaussian wave packets in strongly nonharmonic, nonlinearly coupled oscillators are studied as examples. The numerica lly exact solutions are compared to time dependent SCF approximations of the wave packet.