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Journal of Physics B Atomic Molecular and Optical Physics

Generator coordinate method for 1D contacting bosons in harmonic trap

Jing-An Sun, Guangjie Guo, Bo Zhou, Y. G.

Published Aug 28, 2023• 0 citations
Publisher

Abstract

Abstract We propose a new method, termed generator coordinate method (GCM)-correlated pair wave function (CPWF), for studying one-dimensional bosons confined in harmonic potentials with contact repulsive interactions. Our approach involves using the effective CPWF as a basis, combined with the GCM to handle complex many-particle correlations accurately. We demonstrate the reliability of our GCM-CPWF wave functions by comparing ground energy and one-body density with those obtained by other numerical methods. Moreover, we present the energy spectrum up to six particles and the occupation number on the harmonic oscillator state. Utilizing these GCM-CPWF wave functions, we explore the properties of the ground and excited states of the many-particle system. Our GCM-CPWF framework is highly flexible and can be generalized to investigate more complex many-particle systems.

DOI
10.1088/1361-6455/acf483

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Abstract We propose a new method, termed generator coordinate method (GCM)-correlated pair wave function (CPWF), for studying one-dimensional bosons confined in harmonic potentials with contact repulsive interactions. Our approach involves using the effective CPWF as a basis, combined with the GCM to handle complex many-particle correlations accurately. We demonstrate the reliability of our GCM-CPWF wave functions by comparing ground energy and one-body density with those obtained by other numerical methods. Moreover, we present the energy spectrum up to six particles and the occupation number on the harmonic oscillator state. Utilizing these GCM-CPWF wave functions, we explore the properties of the ground and excited states of the many-particle system. Our GCM-CPWF framework is highly flexible and can be generalized to investigate more complex many-particle systems.
We study the quantum system of three ultracold one-dimensional identical bosons with δ -contact interaction in a harmonic trap by proposing a method termed the generator coordinate method (GCM)-polynomial ansatz (PA). Based on the asymptotic property of our system, we describe the wave function as a (pseudo-)polynomial multiplied by the asymptotic Gaussian function, then apply the GCM to this PA description to solve the system. Our results include not only the ground and first excited states, which are in agreement with previous calculations, but also a dozen unexplored excited states. We present and discuss the eigenenergy spectra and eigenstates, including periodic patterns and degeneracies. Additionally, we reproduce the states and properties at extreme interaction limits, such as Bose–Einstein (BE) condensate, fermionization at Tonks–Girardeau (TG) gas limit and TG/super-TG mapping.
The method of correlated basis functions is used in the study of the ground-state properties of a one-dimensional system of bosons interacting through a repulsive $\ensuremath{\delta}$-function potential. Ground-state energies are determined numerically for intermediate values of the coupling constant in three steps: (1) a trial form of the radial distribution function generated by the Bijl-Dingle-Jastrow (BDJ) type of wave function is introduced to obtain approximate ground-state energies, (2) the paired-phonon analysis is applied to improve the BDJ description of the ground state, and (3) leading corrections to the improved approximate energies are evaluted from the second-order perturbation energy generated by the three-phonon vertex. The obtained energy values are found to agree closely with the exact results calculated by Lieb and Liniger.
We study a system of AAA identical interacting bosons trapped by an external field by solving ab initio the many-body Schr\"odinger equation. A complete solution by using, for example, the traditional hyperspherical harmonics (HH) basis develops serious practical problems due to the large degeneracy of HH basis. Symmetrization of the wave function, calculation of the matrix elements, etc., become an immensely formidable task as AAA increases. Instead of the HH basis, here we use a new basis, called ``potential harmonics'' (PH) basis, which is a subset of HH basis. We assume that the contribution to the orbital and grand orbital [in $3(A\ensuremath{-}1)$-dimensional space of the reduced motion] quantum numbers comes only from the interacting pair. This implies inclusion of two-body correlations only and disregard of all higher-body correlations. Such an assumption is ideally suited for the Bose-Einstein condensate (BEC), which is required, for experimental realization of BEC, to be extremely dilute. Hence three and higher-body collisions are almost totally absent. Unlike the $(3A\ensuremath{-}4)$ hyperspherical variables in HH basis, the PH basis involves only three active variables, corresponding to three quantum numbers---the orbital lll, azimuthal mmm, and the grand orbital 2K+l2K+l2K+l quantum numbers for any arbitrary AAA. It drastically reduces the number of coupled equations and calculation of the potential matrix becomes tremendously simplified, as it involves integrals over only three variables for any AAA. One can easily incorporate realistic atom-atom interactions in a straightforward manner. We study the ground and excited state properties of the condensate for both attractive and repulsive interactions for various particle number. The ground state properties are compared with those calculated from the Gross-Pitaevskii equation. We notice that our many-body results converge towards the mean field results as the particle number increases.
Abstract We make use of a simple pair correlated wave function approach to obtain results for the ground-state densities and momentum distribution of a one-dimensional three-body bosonic system with different interactions in a harmonic trap. For equal interactions this approach is able to reproduce the known analytical cases of zero and infinite repulsion. We show that our results for the correlations agree with the exact diagonalization in all interaction regimes and with analytical results for the strongly repulsive impurity. This method also enables us to access the more complicated cases of mixed interactions, and the probability densities of these systems are analyzed.
The variational determination of the two-boson reduced density matrix is described for a one-dimensional system of N N harmonically trapped bosons interacting via contact interaction, where N N ranges from 2 2 to 10^4 10 4 . The ground-state energies are calculated, and compared to existing methods, including the analytic case (for N=2) N = 2 ) and mean-field approaches such as the one-dimensional Gross-Pitaevskii equation and its variations. Structural properties such as the density and correlation functions are also derived, including the behaviour of the correlation function when boson coordinates coincide. This collectively demonstrates the capacity of the reduced density matrix method to accurately calculate collective ground-state properties of bosonic systems comprising few to many bosons, including the cross-over region between these extremes, across a large range of interaction strengths.
We formulate a quantum Monte Carlo (QMC) method for calculating the ground state of many-boson systems. The method is based on a field-theoretical approach, and is closely related to existing fermion auxiliary-field QMC methods which are applied in several fields of physics. The ground-state projection is implemented as a branching random walk in the space of permanents consisting of identical single-particle orbitals. Any single-particle basis can be used, and the method is in principle exact. We apply this method to an atomic Bose gas, where the atoms interact via an attractive or repulsive contact two-body potential parametrized by the s-wave scattering length. We choose as the single-particle basis a real-space grid. We compare with exact results in small systems, and arbitrarily-sized systems of untrapped bosons with attractive interactions in one dimension, where analytical solutions exist. Our method provides a way to systematically improve upon the mean-field Gross-Pitaevskii (GP) method while using the same framework, capturing interaction and correlation effects with a stochastic, coherent ensemble of non-interacting solutions. to study the role of many-body correlations in the ground state, we examine the properties of the gas, such as the energetics, condensate fraction, and the density and momentum distributions as a function of the number of particles and the scattering length, both in the homogenous and trapped gases. Results are presented for systems with up to 1000 bosons. Comparing our results to the mean-field GP results, we find significant departure from mean field at large positive scattering lengths. The many-body correlations tend to increase the kinetic energy and reduce the interaction energy compared to GP. In the trapped gases, this results in a qualitatively different behavior as a function of the scattering length. Possible experimental observation is discussed.