Wavepacket revivals via complex trajectory propagation

TL;DR

This paper introduces a novel complex trajectory propagation method using FINCO that accurately models wavepacket revivals in strongly anharmonic systems over long times, overcoming previous numerical limitations.

Contribution

The authors develop a new Final Value Representation (FINCO) approach combined with phase space analysis to enable long-time wavepacket propagation in complex semiclassical systems.

Findings

Accurate wavepacket revival modeling in anharmonic systems

Overcomes previous short-time propagation limitations

Demonstrates effectiveness of complex trajectory methods

Abstract

Complex-valued semiclassical methods hold out the promise of treating classically allowed and classically forbidden processes on the same footing. In addition, they provide a natural way to describe optical excitation with complex fields within the trajectory framework. Despite their promise, these methods have until now been limited to short time propagation, due to the numerical difficulties introduced by the complexification. Using a new Final Value Representation of the Coherent State Propagator (FINCO), combined with an analysis of the complex classical phase space, we achieve accurate wavepacket propagation all the way to the revival time of a strongly anharmonic system.