Multi-resolution schemes for time scaled propagation of wave packets

TL;DR

This paper analyzes multi-resolution schemes for solving the time-dependent Schrödinger equation using time scaled coordinates, focusing on wave packet squeezing, basis choices, and the behavior of ionized electrons over time.

Contribution

It introduces and compares multi-resolution schemes with different breakpoint sequences and basis functions for efficient wave packet propagation in quantum systems.

Findings

Multi-resolution schemes effectively handle wave packet squeezing.

Ionized wave packets become stationary at large times.

Only the lowest scaled bound states can be removed after pulse interaction.

Abstract

We present a detailed analysis of the time scaled coordinate approach and its implementation for solving the time-dependent Schr\"odinger equation describing the interaction of atoms or molecules with radiation pulses. We investigate and discuss the performance of multi-resolution schemes for the treatment of the squeezing around the origin of the bound part of the scaled wave packet. When the wave packet is expressed in terms of B-splines, we consider two different types of breakpoint sequences: an exponential sequence with a constant density and an initially uniform sequence with a density of points around the origin that increases with time. These two multi-resolution schemes are tested in the case of a one-dimensional gaussian potential and for atomic hydrogen. In the latter case, we also use Sturmian functions to describe the scaled wave packet and discuss a multi-resolution scheme which consists in working in a sturmian basis characterized by a set of non-linear parameters. Regarding the continuum part of the scaled wave packet, we show explicitly that, for large times, the group velocity of each ionized wave packet goes to zero while its dispersion is suppressed thereby explaining why, eventually, the scaled wave packet associated to the ejected electrons becomes stationary. Finally, we show that only the lowest scaled bound states can be removed from the total scaled wave packet once the interaction with the pulse has ceased.