Time-dependent quantum mechanical wave packet dynamics

Program for quantum wave-packet dynamics with time-dependent potentials

We present a program to simulate the dynamics of a wave packet interacting with a time-dependent potential. The time-dependent Schrödinger equation is solved on a one-, two-, or three-dimensional spatial grid using the split operator method. The program can be compiled for execution either on a single processor or on a distributed-memory parallel computer.

A comparative study of time dependent quantum mechanical wave packet evolution methods

We present a detailed comparison of the efficiency and accuracy of the secondand third-order split operator methods, a time dependent modified Cayley method, and the Chebychev polynomial expansion method for solving the time dependent Schrodinger equation in the onedimensional double well potential energy function. We also examine the efficiency and accuracy of the split operator and modified C...

Time-dependent quantum wave packet dynamics to study charge transfer in heavy particle collisions.

The method of time-dependent quantum wave packet dynamics has been successfully extended to study the charge transfer/exchange process in low energy two-body heavy particle collisions. The collision process is described by coupled-channel equations with diabatic potentials and (radial and rotational) couplings. The time-dependent coupled equations are propagated with the multiconfiguration time...

Wave-packet dynamics in quantum wells.

Fictitious-time wave-packet dynamics. I. Nondispersive wave packets in the quantum Coulomb problem

Nondispersive wave packets in a fictitious time variable are calculated analytically for the field-free hydrogen atom. As is well known by means of the Kustaanheimo-Stiefel transformation the Coulomb problem can be converted into that of a four-dimensional harmonic oscillator, subject to a constraint. This regularization makes use of a fictitious time variable, but arbitrary Gaussian wave packe...