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
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
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.