We study the correlation properties of the ground states of few ultracold bosons, trapped in double wells of varying barrier height in one dimension. Extending previous results on the signature of the transition from a Bose-condensed state via fragmentation to the hard-core limit, we provide a deeper understanding of that transition by relating it to the loss of coherence in the one-body density matrix and to the emerging long-range tail in the momentum spectrum. These are accounted for in detail by discussing the natural orbitals and their occupations. Our discussion is complemented by an analysis of the two-body correlation function.
We study the correlation properties of the ground states of few ultracold bosons, trapped in double wells of varying barrier height in one dimension. Extending previous results on the signature of the transition from a Bose-condensed state via fragmentation to the hard-core limit, we provide a deeper understanding of that transition by relating it to the loss of coherence in the one-body density matrix and to the emerging long-range tail in the momentum spectrum. These are accounted for in detail by discussing the natural orbitals and their occupations. Our discussion is complemented by an analysis of the two-body correlation function.
We investigate the transition of a quasi-one-dimensional few-boson system from a weakly correlated to a fragmented and finally a fermionized ground state. Our numerically exact analysis, based on a multiconfigurational method, explores the interplay between different shapes of external and interparticle forces. Specifically, we demonstrate that the addition of a central barrier to an otherwise harmonic trap may support the system's fragmentation, with a symmetry-induced distinction between even and odd atom numbers. Moreover, the impact of inhomogeneous interactions is studied, where the effective coupling strength is spatially modulated. It is laid out how the ground state can be displaced in a controlled way depending on the trap and the degree of modulation. We present the one- and two-body densities and, beyond that, highlight the role of correlations on the basis of the natural occupations.
The one-particle density matrices for hard-core bosons in a one-dimensional harmonic trap are computed numerically for systems with up to 160 bosons. Diagonalization of the density matrix shows that the many-body ground state is not Bose-Einstein condensed. The ground-state occupation, the amplitude of the lowest natural orbital, and the zero momentum peak height scale as powers of the particle number, and the corresponding exponents are related to each other. Close to its diagonal, the density matrix for hard-core bosons is similar to that of noninteracting fermions.
The first- and second-order correlation functions of trapped interacting Bose-Einstein condensates are investigated numerically on a many-body level from first principles. Correlations in real space and momentum space are treated. The coherence properties are analyzed. The results are obtained by solving the many-body Schr\"odinger equation. It is shown in an example how many-body effects can be induced by the trap geometry. A generic fragmentation scenario of a condensate is considered. The correlation functions are discussed along a pathway from a single condensate to a fragmented condensate. It is shown that strong correlations can arise from the geometry of the trap, even at weak interaction strengths. The natural orbitals and natural geminals of the system are obtained and discussed. It is shown how the fragmentation of the condensate can be understood in terms of its natural geminals. The many-body results are compared to those of mean-field theory. The best solution within mean-field theory is obtained. The limits in which mean-field theories are valid are determined. In these limits the behavior of the correlation functions is explained within an analytical model.
This thesis studies the one-dimensional Bose gas in harmonic and double-well traps from a few-body perspective. The main emphasis is on the crossover from weak interactions to the fermionization limit of infinite repulsion, where the system maps to an ideal Fermi gas. To explore the structure as well as the quantum dynamics throughout that crossover, we both develop an exact-diagonalization approach and resort to a multi-configurational time-dependent method (MCTDH). The basic mechanism of the fermionization crossover for the ground state is shown to consist in the formation of a correlation hole in the two-body density, which culminates in a localization of the individual particles for strong repulsion. This is accompanied by a reduction of coherence. We demonstrate how the concrete pathway depends on the trap geometry, on the shape of the interaction, as well as on the atom number. By extension, we also investigate the lowest excitations, whose understanding is a base for studying the impact of the fermionization crossover on the tunneling dynamics in a double well. In symmetric wells, a pathway from single-particle to fragmented-pair tunneling shows up. By energetically offsetting the two wells, tunnel resonances become accessible, which may be used to extract single atoms.
In this thesis, the behavior of ultracold bosonic systems in external potentials is investigated. Such systems are typically realized as Bose-Einstein condensates, where dilute atomic gases cooled to extremely low temperatures exhibit collective quantum behavior. Because of the large degree of control they allow over the external potential and over the interaction parameters of the many-body system, Bose-Einstein condensates constitute a testing ground for the dedicated study of coherence, correlations, and quantum phase transitions in interacting bosonic systems. This thesis presents an investigation of the many-body physics of ultracold bosons, focusing specifically on how the many-body properties of these ultracold bosonic systems change with changing external potential, how they manifest themselves in experimentally accessible observables, and how these properties can be analyzed using both numerical many-body methods and data-driven approaches. The first part of this thesis focuses on the theoretical description of ultracold bosonic systems in external trapping potentials. Using the multiconfigurational time-dependent Hartree method for bosons (MCTDH-X), numerically exact simulations were performed that allow the calculation of reduced density matrices, natural orbitals, and correlation functions. These quantities were used to analyze the coherence properties and fragmentation of trapped bosonic systems. In particular, double-well systems were investigated as model scenarios in which the gradual formation of a central barrier leads to a redistribution of natural occupations and a transition from a condensed to a fragmented many-body state. In this context, we demonstrate the usefulness of single-shot images, which represent projective measurements of the many-body wave function, for the experimental investigation of the many-body physics of fragmenting system. Single-shot images can be simulated numerically using MCTDH-X, but they are more commonly obtained through experimental measurements. The possibility of extracting many-body information in an experimental context, where said many-body information is not otherwise accessible, is discussed. Supervised machine learning models were trained on simulated single-shot data sets to investigate whether information about the underlying many-body state can be inferred directly from measurement outcomes. The results show that machine learning models are capable of learning patterns in the single-shot images that correlate with properties of the underlying many-body state and can therefore predict density-related quantities with good accuracy. The second part of this thesis focuses on a joint theoretical and experimental investigation of a system of ultracold bosons coupled to an optical cavity. In this system, the atoms interact with a dynamically generated optical potential produced by the cavity field. We use a new theoretical framework that combines a mean-field treatment of the cavity field with a many-body description of the atomic degrees of freedom to be able to capture the emergence of a superradiant self-organized phase and the subsequent transition to a self-organized Mott-insulating state. Our simulations show good agreement with the experimental results, and we discuss where the use of a beyond mean-field treatment in the simulations becomes essential in describing the physics of the different involved phases and quantum states. In summary, the results presented in this thesis demonstrate how numerical many-body simulations and machine learning methods can be used to analyze experimentally accessible observables and to gain insight into the many-body physics of ultracold bosonic systems.
In this thesis, the behavior of ultracold bosonic systems in external potentials is investigated. Such systems are typically realized as Bose-Einstein condensates, where dilute atomic gases cooled to extremely low temperatures exhibit collective quantum behavior. Because of the large degree of control they allow over the external potential and over the interaction parameters of the many-body system, Bose-Einstein condensates constitute a testing ground for the dedicated study of coherence, correlations, and quantum phase transitions in interacting bosonic systems. This thesis presents an investigation of the many-body physics of ultracold bosons, focusing specifically on how the many-body properties of these ultracold bosonic systems change with changing external potential, how they manifest themselves in experimentally accessible observables, and how these properties can be analyzed using both numerical many-body methods and data-driven approaches. The first part of this thesis focuses on the theoretical description of ultracold bosonic systems in external trapping potentials. Using the multiconfigurational time-dependent Hartree method for bosons (MCTDH-X), numerically exact simulations were performed that allow the calculation of reduced density matrices, natural orbitals, and correlation functions. These quantities were used to analyze the coherence properties and fragmentation of trapped bosonic systems. In particular, double-well systems were investigated as model scenarios in which the gradual formation of a central barrier leads to a redistribution of natural occupations and a transition from a condensed to a fragmented many-body state. In this context, we demonstrate the usefulness of single-shot images, which represent projective measurements of the many-body wave function, for the experimental investigation of the many-body physics of fragmenting system. Single-shot images can be simulated numerically using MCTDH-X, but they are more commonly obtained through experimental measurements. The possibility of extracting many-body information in an experimental context, where said many-body information is not otherwise accessible, is discussed. Supervised machine learning models were trained on simulated single-shot data sets to investigate whether information about the underlying many-body state can be inferred directly from measurement outcomes. The results show that machine learning models are capable of learning patterns in the single-shot images that correlate with properties of the underlying many-body state and can therefore predict density-related quantities with good accuracy. The second part of this thesis focuses on a joint theoretical and experimental investigation of a system of ultracold bosons coupled to an optical cavity. In this system, the atoms interact with a dynamically generated optical potential produced by the cavity field. We use a new theoretical framework that combines a mean-field treatment of the cavity field with a many-body description of the atomic degrees of freedom to be able to capture the emergence of a superradiant self-organized phase and the subsequent transition to a self-organized Mott-insulating state. Our simulations show good agreement with the experimental results, and we discuss where the use of a beyond mean-field treatment in the simulations becomes essential in describing the physics of the different involved phases and quantum states. In summary, the results presented in this thesis demonstrate how numerical many-body simulations and machine learning methods can be used to analyze experimentally accessible observables and to gain insight into the many-body physics of ultracold bosonic systems.