E. Yurtsever et J. Brickmann, HAMILTON-JACOBI DYNAMICS FOR THE SOLUTION OF TIME-DEPENDENT QUANTUM PROBLEMS .1. FORMALISM AND WAVE-PACKET PROPAGATION IN ONE-DIMENSION, Berichte der Bunsengesellschaft fur Physikalische Chemie, 98(4), 1994, pp. 554-559
Citations number
22
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
Two methods for the numerical integration of the time-dependent Schrod
inger equation with given initial conditions (initial wave packet) are
presented. The first method (method A) is based on the Schrodinger re
presentation of the quantum-dynamical system while the second one (met
hod B) is based upon the intermediate representation. In both cases th
e quantum dynamical equation is transformed into a system of Hamilton-
Jacobi type equations of motion as occurring in multi particle classic
al dynamics, i.e. standard molecular dynamics techniques can be applie
d for the integration. The dynamics of a minimum uncertainty Gaussian
wave packet in a strongly anharmonic oscillator is taken as an example
.