MCTDH-X: The multiconfigurational time-dependent Hartree method for indistinguishable particles software
Abstract
We introduce and describe the multiconfigurational time-depenent Hartree for indistinguishable particles (MCTDH-X) software. This powerful tool allows the investigation of ground state properties and dynamics of interacting quantum many-body systems in different spatial dimensions. The MCTDH-X software is a set of programs and scripts to compute, analyze, and visualize solutions for the time-dependent and time-independent many-body Schr\"{o}dinger equation for indistinguishable quantum particles. As the MCTDH-X software represents a general solver for the Schr\"{o}dinger equation, it is applicable to a wide range of problems in the fields of atomic, optical, molecular physics as well as condensed matter systems. In particular, it can be used to study light-matter interactions, correlated dynamics of electrons, as well as some aspects related to quantum information and computing. The MCTDH-X software solves a set of non-linear coupled working equations based on the application of the variational principle to the Schr\"{o}dinger equation. These equations are obtained by using an ansatz for the many-body wavefunction that is a time-dependent expansion in a set of time-dependent many-body basis states. The time-dependence of the basis set enables MCTDH-X to deal with quantum dynamics at a superior accuracy as compared to, for instance, exact diagonalization approaches. Herein, we give an introduction to the MCTDH-X software via an easy-to-follow tutorial with a focus on accessibility. We use the double well to illustrate the fermionization of bosonic particles, the crystallization of fermionic particles, characteristics of the superfluid and Mott-insulator quantum phases in Hubbard models, and even dynamical quantum phase transitions. Our tutorial guides the potential user to apply the MCTDH-X software also to more complex systems.
Cite
@article{arxiv.1911.00525,
title = {MCTDH-X: The multiconfigurational time-dependent Hartree method for indistinguishable particles software},
author = {Rui Lin and Paolo Molignini and Luca Papariello and Marios C. Tsatsos and Camille Lévêque and Storm E. Weiner and Elke Fasshauer and R. Chitra and Axel U. J. Lode},
journal= {arXiv preprint arXiv:1911.00525},
year = {2020}
}
Comments
38 pages, 15 figures (22 pages, 9 figures in the supplementary material). Software is available on http://ultracold.org, input files for the tutorial on http://ultracold.org/data/tutorial_input_files.zip, tutorial videos on https://www.youtube.com/playlist?list=PLJIFUqmSeGBKxmLcCuk6dpILnni_uIFGu, and a supplementary video on https://www.youtube.com/watch?v=l2UsTPmJ6po