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 Schrödinger equation for indistinguishable quantum particles. As the MCTDH-X software represents a general solver for the Schrödinger 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 Schrödinger 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.

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

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• Cold bosonic atoms in optical lattices
• The density-matrix renormalization group
• A quantum gas microscope - detecting single atoms in a Hubbard regime optical lattice
• Single-Atom Resolved Fluorescence Imaging of an Atomic Mott Insulator
• Experimental Observation of a Generalized Gibbs Ensemble
• The multi-configurational time-dependent Hartree method for bosons: Many-body dynamics of bosonic systems
• Fragmentation of Bose-Einstein Condensates
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• Quantum Monte Carlo simulations of confined bosonic atoms in optical lattices
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• Fermi-Bose mapping for one-dimensional Bose gases
• Multiconfigurational time-dependent Hartree approaches for indistinguishable particles
• Time-dependent restricted-active-space self-consistent field theory for laser-driven many-electron dynamics
• A unified ab-initio approach to the correlated quantum dynamics of ultracold fermionic and bosonic mixtures
• Single-particle-sensitive imaging of freely propagating ultracold atoms
• Exact quantum dynamics of bosons with finite-range time-dependent interactions of harmonic type
• Ground-state properties of few dipolar bosons in a quasi-one-dimensional harmonic trap
• The multiconfigurational time-dependent Hartree for fermions: Implementation, exactness and application to few-fermion tunneling to open space
• The multiconfigurational time-dependent Hartree method for bosons with internal degrees of freedom: Theory and composite fragmentation of multi-component Bose-Einstein condensates
• Two-point phase correlations of a one-dimensional bosonic Josephson junction
• Fragmented Superradiance of a Bose-Einstein Condensate in an Optical Cavity
• Ultracold atoms in radio-frequency-dressed potentials beyond the rotating wave approximation
• Parametric Excitation of a Bose-Einstein Condensate: From Faraday Waves to Granulation
• Condensate fragmentation as a sensitive measure of the quantum many-body behavior of bosons with long-range interactions
• Single shot simulations of dynamic quantum many-body systems
• Bose-Hubbard phase diagram with arbitrary integer filling
• Negative quench induced excitation dynamics for ultracold bosons in one-dimensional lattices
• Quantum dynamics of attractive versus repulsive bosonic Josephson junctions: Bose-Hubbard and full-Hamiltonian results
• How does an interacting many-body system tunnel through a potential barrier to open space?
• Absorption Imaging of Ultracold Atoms on Atom Chips
• Variance as a sensitive probe of correlations enduring the infinite particle limit
• Condensate Fragmentation in a New Exactly Solvable Model for Confined Bosons
• Universality of Fragmentation in the Schrödinger Dynamics of Bosonic Josephson Junctions
• Order parameter and detection for crystallized dipolar bosons in lattices
• Interaction Quench Induced Multimode Dynamics of Finite Atomic Ensembles
• Superfluid--Mott insulator transition of ultracold superradiant bosons in a cavity
• Phases, many-body entropy measures and coherence of interacting bosons in optical lattices
• Many-body entropies, correlations, and emergence of statistical relaxation in interaction quench dynamics of ultracold bosons
• Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic symmetry dependent lineshapes and laser induced modification
• Time-dependent restricted-active-space self-consistent-field theory for bosonic many-body systems
• Superlattice switching from parametric instabilities in a driven-dissipative BEC in a cavity
• Time-dependent multi-orbital mean-field for fragmented Bose-Einstein condensates
• Mode coupling of interaction quenched ultracold few-boson ensembles in periodically driven lattices
• Dynamics of Hubbard Hamiltonians with the multiconfigurational time-dependent Hartree method for indistinguishable particles
• Correlations of strongly interacting ultracold dipolar bosons in optical lattices
• First order phase transitions in optical lattices with tunable three-body onsite interaction
• Many-body physics in two-component Bose-Einstein condensates in a cavity: fragmented superradiance and polarization
• Probing Ferromagnetic Order in Few-Fermion Correlated Spin-Flip Dynamics
• Multispecies time-dependent restricted-active-space self-consistent-field theory for ultracold atomic and molecular gases
• Optimal time-dependent lattice models for nonequilibrium dynamics
• Quantum dynamical response of ultracold few boson ensembles in finite optical lattices to multiple interaction quenches
• Attosecond photoionization dynamics in neon
• Collective excitations of dipolar gases based on local tunneling in superlattices
• Analysis of a trapped Bose-Einstein condensate in terms of position, momentum, and angular-momentum variance
• Electron correlation in beryllium: Effects in ground state, short-pulse photoionization and time-delay studies
• Management of the Correlations of Ultracold Bosons in Triple Wells
• Effects of core space and excitation levels on ground-state correlation and photoionization dynamics of Be and Ne

Cited by in corpus (43)

• Observing dynamical currents in a non-Hermitian momentum lattice
• Pathway to chaos through hierarchical superfluidity in a cavity-BEC system
• Many-Body Open Quantum Systems
• Self-consistent many-body metrology
• Accuracy of quantum simulators with ultracold dipolar molecules: a quantitative comparison between continuum and lattice descriptions
• Ab-initio variational wave functions for the time-dependent many-electron Schrödinger equation
• Mott transition in a cavity-boson system: A quantitative comparison between theory and experiment
• Quantum dynamics of few dipolar bosons in a double-well potential
• Fermionization via cavity-assisted infinite-range interactions
• Fragmentation and correlations in a rotating Bose-Einstein condensate undergoing breakup
• Dynamics of order-disorder and complexity for interacting bosons in optical lattice
• Impact of the transverse direction on the many-body tunneling dynamics in a two-dimensional bosonic Josephson junction
• Many-body density and coherence of trapped cold bosons
• Lecture Notes: many-body quantum dynamics with MCTDH-X
• Unbounded entropy production and violent fragmentation for repulsive-to-attractive interaction quench in long-range interacting systems
• Out of equilibrium many-body expansion dynamics of strongly interacting bosons
• Dynamics of Ultracold Bosons in Artificial Gauge Fields: Angular Momentum, Fragmentation, and the Variance of Entropy
• Realizing multiband states with ultracold dipolar quantum simulators
• Spectral Structure and Many-Body Dynamics of Ultracold Bosons in a Double-Well
• Strongly interacting bosons in 1D disordered lattice: phase coherence of distorted Mott phases
• Stability of quasicrystalline ultracold fermions to dipolar interactions
• Condensates Breaking Up Under Rotation
• Interaction quench of dipolar bosons in a one-dimensional optical lattice
• Benchmarking the multiconfigurational Hartree method by the exact wavefunction of two harmonically trapped bosons with contact interaction
• Pauli crystal melting in shaken optical traps
• Photoionization of aligned excited states in neon by attosecond laser pulses
• Assessing small accelerations using a bosonic Josephson junction
• Stability of dipolar bosons in a quasiperiodic potential
• Expansion of strongly interacting dipolar bosons in 1D optical lattices
• Interaction Quench Dynamics and Stability of Quantum Vortices in Rotating Bose-Einstein Condensates
• Rotation quenches in trapped bosonic systems
• Dynamics of Correlations and Entanglement Generation in Electron-Molecule Inelastic Scattering
• Quasi-superfluid and Quasi-Mott phases of strongly interacting bosons in shallow optical lattice
• Beyond-mean-field phases of rotating dipolar condensates
• Evolution of static and dynamical density correlations in a one-dimensional soft-core gas from the Tonks-Girardeau limit to a clustering fluid
• One-Dimensional Quench Dynamics in an Optical Lattice: sine-Gordon and Bose-Hubbard Descriptions
• Coherence-induced quantum forces
• Dynamics and transport of Bose-Einstein condensates in bent potentials
• Optimized Observable Readout from Single-shot Images of Ultracold Atoms via Machine Learning
• Pauli crystal superradiance
• Dynamical localization of interacting ultracold atoms in one-dimensional quasi-periodic potentials
• Dynamics and fragmentation of bosons in an optical lattice inside a cavity using Wannier and position bases
• Entropy production and statistical relaxation of dipolar bosons and fermions in interaction quench dynamics