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arXiv:2211.15190 · SciPost Physics Core

Out of equilibrium many-body expansion dynamics of strongly interacting bosons

Rhombik Roy, Barnali Chakrabarti, A. Gammal

Published Nov 3, 2023• 9 citations
arXivHTMLPDF

Abstract

We solve the Schrödinger equation from first principles to investigate the many-body effects in the expansion dynamics of one-dimensional repulsively interacting bosons released from a harmonic trap. We utilize the multiconfigurational time-dependent Hartree method for bosons (MCTDHB) to solve the many-body Schrödinger equation at high level of accuracy. The MCTDHB basis sets are explicitly time-dependent and optimised by variational principle. We probe the expansion dynamics by three key measures; time evolution of one-, two- and three-body densities. We observe when the mean-field theory results to unimodal expansion, the many-body calculation exhibits trimodal expansion dynamics. The many-body features how the initially fragmented bosons independently spreads out with time whereas the mean-field pictures the expansion of the whole cloud. We also present the three different time scale of dynamics of the inner core, outer core and the cloud as a whole. We analyze the key role played by the dynamical fragmentation during expansion. A Strong evidence of the many-body effects is presented in the dynamics of two- and three-body densities which exhibit correlation hole and pronounced delocalization effect.

DOI
10.21468/scipostphyscore.6.4.073

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We solve the Schrödinger equation from first principles to investigate the many-body effects in the expansion dynamics of one-dimensional repulsively interacting bosons released from a harmonic trap. We utilize the multiconfigurational time-dependent Hartree method for bosons (MCTDHB) to solve the many-body Schrödinger equation at high level of accuracy. The MCTDHB basis sets are explicitly time-dependent and optimised by variational principle. We probe the expansion dynamics by three key measures; time evolution of one-, two- and three-body densities. We observe when the mean-field theory results to unimodal expansion, the many-body calculation exhibits trimodal expansion dynamics. The many-body features how the initially fragmented bosons independently spreads out with time whereas the mean-field pictures the expansion of the whole cloud. We also present the three different time scale of dynamics of the inner core, outer core and the cloud as a whole. We analyze the key role played by the dynamical fragmentation during expansion. A Strong evidence of the many-body effects is presented in the dynamics of two- and three-body densities which exhibit correlation hole and pronounced delocalization effect.
In order to solve the many-boson Schr\"odinger equation we utilize the multiconfigurational time-dependent Hartree method for bosons (MCTDHB). To be able to attack larger systems and/or to propagate the solution for longer times, we implement a parallel version of the MCTDHB method, thereby realizing the recently proposed [Streltsov et al., Phys. Rev. A 81, 022124 (2010)] idea on how to construct efficiently the result of the action of the Hamiltonian on a bosonic state vector. As an illustrative example of its own interest, we study the real-space dynamics of repulsive bosonic systems made of N=12N=12N=12, 51, and 3003 bosons in triple-well periodic potentials. The ground state of this system is threefold fragmented. By suddenly strongly distorting the trap potential, the system performs complex many-body quantum dynamics. At long times it reveals a tendency to an oscillatory behavior around a threefold fragmented state. These oscillations are strongly suppressed and damped by quantum depletions. In spite of the richness of the observed dynamics, the three time-adaptive orbitals of MCTDHB(M=3M=3M=3) are capable of describing the many-boson quantum dynamics of the system for short and intermediate times. For longer times, however, more self-consistent time-adaptive orbitals are needed to correctly describe the nonequilibrium many-body physics. The convergence of the MCTDHB(MMM) method with the number MMM of self-consistent time-dependent orbitals used is demonstrated.
The evolution of Bose-Einstein condensates is amply described by the time-dependent Gross-Pitaevskii mean-field theory which assumes all bosons to reside in a single time-dependent one-particle state throughout the propagation process. In this work, we go beyond mean field and develop an essentially exact many-body theory for the propagation of the time-dependent Schr\"odinger equation of NNN interacting identical bosons. In our theory, the time-dependent many-boson wave function is written as a sum of permanents assembled from orthogonal one-particle functions, or orbitals, where both the expansion coefficients and the permanents (orbitals) themselves are time-dependent and fully determined according to a standard time-dependent variational principle. By employing either the usual Lagrangian formulation or the Dirac-Frenkel variational principle we arrive at two sets of coupled equations of motion, one for the orbitals and one for the expansion coefficients. The first set comprises of first-order differential equations in time and nonlinear integrodifferential equations in position space, whereas the second set consists of first-order differential equations with time-dependent coefficients. We call our theory multiconfigurational time-dependent Hartree for bosons, or MCTDHB(M)\text{MCTDHB}(M)MCTDHB(M), where MMM specifies the number of time-dependent orbitals used to construct the permanents. Numerical implementation of the theory is reported and illustrative numerical examples of many-body dynamics of trapped Bose-Einstein condensates are provided and discussed. The convergence of the method with a growing number MMM of orbitals is demonstrated in a specific example of four interacting bosons in a double well.
The out-of-equilibrium quantum dynamics of a Bose gas trapped in an asymmetric double well and interacting with a finite-range interaction has been studied in real space by solving the time-dependent many-body Schrödinger equation numerically accurately using the multiconfigurational time-dependent Hartree method for bosons (MCTDHB). We have focused on the weakly interacting limit where the system is essentially condensed. We have examined the impact of the range of the interaction on the dynamics of the system, both at the mean-field and many-body levels. Explicitly, we have studied the maximal and the minimal values of the many-body position variance in each cycle of oscillation, and the overall pace of its growth. We find that the range of the interaction affects the dynamics of the system differently for the right well and the left well. We have also examined the infinite-particle limit and find that even there, the impact of the range of the interaction can only be described by a many-body theory such as MCTDHB.
In this paper, the multiconfigurational time-dependent Hartree for bosons (MCTDHB) method is derived for the case of NNN identical bosons with internal degrees of freedom. The theory for bosons with internal degrees of freedom constitutes a generalization of the MCTDHB method that substantially enriches the many-body physics that can be described. We demonstrate that the numerically exact solution of the time-dependent many-body Schr\"odinger equation for interacting bosonic particles with internal degrees of freedom is now feasible. We report on the MCTDHB equations of motion for bosons with internal degrees of freedom and their implementation for a general many-body Hamiltonian with one-body and two-body terms, both of which may depend on the internal states of the considered particles and time. To demonstrate the capabilities of the theory and its software implementation integrated in the mctdh-x software, we apply MCTDHB to the emergence of fragmentation of parabolically trapped bosons with two internal states: we study the ground state of N=100N=100N=100 bosons as a function of the separation between the state-dependent minima of the two parabolic potentials. To quantify the coherence of the system, we compute its normalized first-order correlation function. We find that the coherence within each internal state of the atoms is maintained, while it is lost between the different internal states. This is a hallmark of a kind of fragmentation absent in bosons without internal structure. We term the emergent phenomenon ``composite fragmentation.''
We study the quantum many-body dynamics and the entropy production triggered by an interaction quench in a system of N=10N=10N=10 interacting identical bosons in an external one-dimensional harmonic trap. The multiconfigurational time-dependent Hartree method for bosons (MCTDHB) is used for solving the time-dependent Schr\"odinger equation at a high level of accuracy. We consider many-body entropy measures such as the Shannon information entropy, number of principal components, and occupation entropy that are computed from the time-dependent many-body basis set used in MCTDHB. These measures quantify relevant physical features such as irregular or chaotic dynamics, statistical relaxation, and thermalization. We monitor the entropy measures as a function of time and assess how they depend on the interaction strength. For larger interaction strength, the many-body information and occupation entropies approach the value predicted for the Gaussian orthogonal ensemble of random matrices. This implies statistical relaxation. The basis states of MCTDHB are explicitly time-dependent and optimized by the variational principle in a way that minimizes the number of significantly contributing ones. It is therefore a nontrivial fact that statistical relaxation prevails in MCTDHB computations. Moreover, we demonstrate a fundamental connection between the production of entropy, the buildup of correlations and loss of coherence in the system. Our findings imply that mean-field approaches such as the time-dependent Gross-Pitaevskii equation cannot capture statistical relaxation and thermalization because they neglect correlations. Since the coherence and correlations are experimentally accessible, their present connection to many-body entropies can be scrutinized to detect statistical relaxation. In this work we use the recent recursive software implementation of the MCTDHB (R-MCTDHB).
A time-dependent multiconfigurational self-consistent field theory is presented to describe the many-body dynamics of a gas of identical bosonic atoms confined to an external trapping potential at zero temperature from first principles. A set of generalized evolution equations are developed, through the time-dependent variational principle, which account for the complete and self-consistent coupling between the expansion coefficients of each configuration and the underlying one-body wave functions within a restricted two state Fock space basis that includes the full effects of the condensate's mean field as well as atomic correlation. The resulting dynamical equations are a classical Hamiltonian system and, by construction, form a well-defined initial value problem. They are implemented in an efficient numerical algorithm. An example is presented, highlighting the generality of the theory, in which the ballistic expansion of a fragmented condensate ground state is compared to that of a macroscopic quantum superposition state, taken here to be a highly entangled number state, upon releasing the external trapping potential. Strikingly different many-body matter-wave dynamics emerge in each case, accentuating the role of both atomic correlation and mean-field effects in the two condensate states.