Center-of-mass motion as a sensitive convergence test for variational multi-mode quantum dynamics

TL;DR

This paper introduces a method using center-of-mass motion to reliably detect convergence issues in multi-mode quantum dynamics simulations, highlighting limitations of existing criteria and providing insights into dynamical fragmentation in attractive bosons.

Contribution

It demonstrates how center-of-mass motion analysis can serve as a sensitive convergence test, revealing failures of simplified criteria and clarifying the nature of fragmentation in quantum systems.

Findings

Center-of-mass motion detects unconverged dynamics effectively.

Simplified convergence criteria can be misleading.

Numerical results on bright soliton states are inconsistent with exact solutions.

Abstract

Multi-mode expansions in computational quantum dynamics promise convergence toward exact results upon increasing the number of modes. Convergence is difficult to ascertain in practice due to the unfavourable scaling of required resources for many-particle problems and therefore a simplified criterion based on a threshold value for the least occupied mode function is often used. Here we show how the separable quantum motion of the center of mass can be used to sensitively detect unconverged numerical multi-particle dynamics in harmonic potentials. Based on an experimentally relevant example of attractively interacting bosons in one dimension, we demonstrate that the simplified convergence criterion fails to assure qualitatively correct results. Furthermore, the numerical evidence for the creation of two-hump fragmented bright soliton-like states presented by Streltsov \emph{et al.} [PRL 100, 130401 (2008)] is shown to be inconsistent with exact results. Implications for our understanding of dynamical fragmentation in attractive boson systems are briefly discussed.