The emphasis of this work is on the computation of physical properties as well as of the wave function of interacting bosons in a trap potential. Many-body perturbation theory is employed to study the leading term of these quantities for finite numbers of bosons, and exact solutions are aimed at in the infinite-particle limit. As discussed before, a suitable starting point is the second-quantized Hamiltonian represented in the basis of destruction and creation operators of its own mean-field potential. This choice leads to expressions for the perturbation terms of all quantities which exhibit a very weak dependence on the particle number. Importantly, when applying ideas similar to Bogoliubov's, the Hamiltonian can be reduced in the infinite-particle limit to a much simplified form which is a priori particle-number conserving. The resulting phonon Hamiltonian is diagonalizable by a linear transformation for which an explicit eigenvalue equation is given. Physical properties can be expressed explicitly by elements of this transformation, and of particular relevance is that the particle-number-conserving wave functions of the original many-boson system can be reconstructed using recursion relations. The reconstruction of the particle-conserving wave function from the phonon Hamiltonian can also be used to assess when the infinite-particle limit is reached in practice for finite trapped condensates. Two applications are discussed in detail. For one of them, an exact solution is known which is found, in the infinite-particle limit, to exactly coincide with that of the phonon Hamiltonian. In both examples expressions for the properties are given in closed form. The physics behind the phonon Hamiltonian and its physical properties is discussed.
The emphasis of this work is on the computation of physical properties as well as of the wave function of interacting bosons in a trap potential. Many-body perturbation theory is employed to study the leading term of these quantities for finite numbers of bosons, and exact solutions are aimed at in the infinite-particle limit. As discussed before, a suitable starting point is the second-quantized Hamiltonian represented in the basis of destruction and creation operators of its own mean-field potential. This choice leads to expressions for the perturbation terms of all quantities which exhibit a very weak dependence on the particle number. Importantly, when applying ideas similar to Bogoliubov's, the Hamiltonian can be reduced in the infinite-particle limit to a much simplified form which is a priori particle-number conserving. The resulting phonon Hamiltonian is diagonalizable by a linear transformation for which an explicit eigenvalue equation is given. Physical properties can be expressed explicitly by elements of this transformation, and of particular relevance is that the particle-number-conserving wave functions of the original many-boson system can be reconstructed using recursion relations. The reconstruction of the particle-conserving wave function from the phonon Hamiltonian can also be used to assess when the infinite-particle limit is reached in practice for finite trapped condensates. Two applications are discussed in detail. For one of them, an exact solution is known which is found, in the infinite-particle limit, to exactly coincide with that of the phonon Hamiltonian. In both examples expressions for the properties are given in closed form. The physics behind the phonon Hamiltonian and its physical properties is discussed.
We investigate a trapped mixture of Bose-Einstein condensates consisting of a multiple number of P species. To be able to do so, an exactly solvable many-body model is called into play. This is the P-species harmonic-interaction model. After presenting the Hamiltonian, the ground-state energy and wavefunction are explicitly calculated. All properties of the mixture's ground state can, in principle, be obtained from the many-particle wavefunction. A scheme to integrate the all-particle density matrix is derived and implemented, leading to closed-form expressions for the reduced one-particle density matrices. Of particular interest is the infinite-particle-number limit, which is obtained when the numbers of bosons are taken to infinity while keeping the interaction parameters fixed. We first prove that at the infinite-particle-number limit all the species are 100% condensed. The mean-field solution of the P-species mixture is also obtained analytically and is used to show that the energy per particle and densities per particle computed at the many-body level of theory boil down to their mean-field counterparts. Despite these, correlations in the mixture exist at the infinite-particle-number limit. To this end, we obtain closed-form expressions for the correlation energy, namely, the difference between the mean-field and many-body energies, and the depletion of the species, i.e., the number of particles residing outside the condensed modes, at the infinite-particle-number limit. The depletion and the correlation energy per species are shown to critically depend on the number of species. Of separate interest is the entanglement between one species of bosons and the other P - 1 species. This quantity is governed by the coupling of the center-of-mass coordinates of the species and is obtained by the respective Schmidt decomposition of the P-species wavefunction. Interestingly, there is an optimal number of species, here P = 3, where the entanglement is maximal. Importantly, the manifestation of this interspecies entanglement in an observable is possible. It is the position-momentum uncertainty product of one species in the presence of the other P - 1 species, which is derived and demonstrated to correlate with the interspecies entanglement. All in all, we show and explain how correlations at the infinite-particle-number limit of a trapped multiple-species bosonic mixture depend on the interactions and how they evolve with the number of species. Generalizations and implications are briefly discussed.
We study a physically motivated model for a trapped dilute gas of Bosons with repulsive pairwise atomic interactions at zero temperature. Our goal is to describe aspects of the excited many-body quantum states of this system by accounting for the scattering of atoms in pairs from the macroscopic state. We start with an approximate many-body Hamiltonian, H a p p \mathcal {H}_{\mathrm {app}} , in the Bosonic Fock space. This H a p p \mathcal {H}_{\mathrm {app}} conserves the total number of atoms. Inspired by Wu [J. Math. Phys. 2 (1961), 105–123], we apply a non-unitary transformation to H a p p \mathcal {H}_{\mathrm {app}} . Key in this procedure is the pair-excitation kernel, which obeys a nonlinear integro-partial differential equation. In the stationary case, we develop an existence theory for solutions to this equation by a variational principle. We connect this theory to a system of partial differential equations for one-particle excitation (“quasiparticle”-) wave functions derived by Fetter [Ann. Phys. 70 (1972), 67–101], and prove existence of solutions for this system. These wave functions solve an eigenvalue problem for a J J -self-adjoint operator. From the non-Hermitian Hamiltonian, we derive a one-particle nonlocal equation for low-lying excitations, describe its solutions, and recover Fetter’s energy spectrum. We also analytically provide an explicit construction of the excited eigenstates of the reduced Hamiltonian in the N N -particle sector of Fock space.
In this work we develop a complete variational many-body theory for a system of N trapped bosons interacting via a general two-body potential. The many-body solution of this system is expanded over orthogonal many-body basis functions (configurations). In this theory both the many-body basis functions and the respective expansion coefficients are treated as variational parameters. The optimal variational parameters are obtained self-consistently by solving a coupled system of noneigenvalue---generally integro-differential---equations to get the one-particle functions and by diagonalizing the secular matrix problem to find the expansion coefficients. We call this theory multiconfigurational Hartree theory for bosons or MCHB(M), where M specifies explicitly the number of one-particle functions used to construct the configurations. General rules for evaluating the matrix elements of one- and two-particle operators are derived and applied to construct the secular Hamiltonian matrix. We discuss properties of the derived equations. We show that in the limiting cases of one configuration the theory boils down to the well-known Gross-Pitaevskii and the recently developed multi-orbital mean fields. The invariance of the complete solution with respect to unitary transformations of the one-particle functions is utilized to find the solution with the minimal number of contributing configurations. In the second part of our work we implement and apply the developed theory. It is demonstrated that for any practical computation where the configurational space is restricted, the description of trapped bosonic systems strongly depends on the choice of the many-body basis set used, i.e., self-consistency is of great relevance. As illustrative examples we consider bosonic systems trapped in one- and two-dimensional symmetric and asymmetric double well potentials. We demonstrate that self-consistency has great impact on the predicted physical properties of the ground and excited states and show that the lack of self-consistency may lead to physically wrong predictions. The convergence of the general MCHB(M) scheme with a growing number M is validated in a specific case of two bosons trapped in a symmetric double well.
We derive a general linear-response many-body theory capable of computing excitation spectra of trapped interacting bosonic systems, e.g., depleted and fragmented Bose-Einstein condensates (BECs). To obtain the linear-response equations we linearize the multiconfigurational time-dependent Hartree for bosons (MCTDHB) method, which provides a self-consistent description of many-boson systems in terms of orbitals and a state vector (configurations), and is in principle numerically exact. The derived linear-response many-body theory, which we term LR-MCTDHB, is applicable to systems with interaction potentials of general form. For the special case of a $\ensuremath{\delta}$ interaction potential we show explicitly that the response matrix has a very appealing bilinear form, composed of separate blocks of submatrices originating from contributions of the orbitals, the state vector (configurations), and off-diagonal mixing terms. We further give expressions for the response weights and density response. We introduce the notion of the type of excitations, useful in the study of the physical properties of the equations. From the numerical implementation of the LR-MCTDHB equations and solution of the underlying eigenvalue problem, we obtain excitations beyond available theories of excitation spectra, such as the Bogoliubov--de Gennes (BdG) equations. The derived theory is first applied to study BECs in a one-dimensional harmonic potential. The LR-MCTDHB method contains the BdG excitations and, also, predicts a plethora of additional many-body excitations which are out of the realm of standard linear response. In particular, our theory describes the exact energy of the higher harmonic of the first (dipole) excitation not contained in the BdG theory. We next study a BEC in a very shallow one-dimensional double-well potential. We find with LR-MCTDHB low-lying excitations which are not accounted for by BdG, even though the BEC has only little fragmentation and, hence, the BdG theory is expected to be valid. The convergence of the LR-MCTDHB theory is assessed by systematically comparing the excitation spectra computed at several different levels of theory.
Identical Particles Second Quantization Independent-Particle Model for Fermions in Finite Systems Two-Particle States and Interactions Noninteracting Bosons and Fermions Propagators in One-Particle Quantum Mechanics Single-Particle Propagator in Many-Particle Systems Perturbation Expansion of the Single-Particle Propagator Dyson Equation and Self-consistent Green's Functions Mean-Field or Hartree-Fock Approximation Beyond the Mean-Field Approximation Interacting Boson Systems Excited States in Finite Systems Excited States in Infinite Systems Excited States in N 2 Systems and In-Medium Scattering Dynamical Treatment of the Self-energy in Infinite Systems Dynamical Treatment of the Self-energy in Finite Systems Bogoliubov Perturbation Expansion for the Bose Gas Boson Perturbation Theory Applied to Physical Systems In-Medium Interaction and Scattering of Dressed Particles Conserving Approximations and Excited States Pairing Phenomena Propagator Framework for Phenomenological Description of Many-Body Systems Finite Temperature Formalism and Applications.
The Bogoliubov method for the excitation spectrum of a Bose-condensed gas is generalized to apply to a gas with an exact large number N of particles. This generalization yields a description of the Schr\"odinger picture field operators as the product of an annihilation operator A for the total number of particles and the sum of a ``condensate wave function'' $\ensuremath{\xi}(\mathbf{x})$ and a phonon field operator $\ensuremath{\chi}(\mathbf{x})$ in the form $\ensuremath{\psi}(\mathbf{x})\ensuremath{\approx}A{\ensuremath{\xi}(\mathbf{x})+\ensuremath{\chi}(\mathbf{x})/\sqrt{N}}$ when the field operator acts on the N particle subspace. It is then possible to expand the Hamiltonian in decreasing powers of N, and thus obtain solutions for eigenvalues and eigenstates as an asymptotic expansion of the same kind. It is also possible to compute all matrix elements of field operators between states of different N. The excitation spectrum can be obtained by essentially the same method as Bogoliubov only if $\ensuremath{\xi}(\mathbf{x})$ is a solution of the time-independent Gross-Pitaevskii equation for N particles and any chemical potential $\ensuremath{\mu}$, which yields a valid and stable solution of the Gross-Pitaevskii equation. The treatment within a subspace of fixed N is identical in form to that usually used, but the interpretation of the operators is slightly different. A time-dependent generalization is then made, yielding an asymptotic expansion in decreasing powers of N for the equations of motion. In this expansion the condensate wave function has the time-dependent form $\ensuremath{\xi}(\mathbf{x},t)$, and the condition for the validity of the expansion is that $\ensuremath{\xi}(\mathbf{x},t)$ satisfies the time-dependent Gross-Pitaevskii equation $\ensuremath{\partial}\ensuremath{\xi}/\ensuremath{\partial}t=\ensuremath{-}({\ensuremath{\Elzxh}}^{2}/2m){\ensuremath{\nabla}}^{2}\ensuremath{\xi}+V\ensuremath{\xi}+Nu|\ensuremath{\xi}{|}^{2}\ensuremath{\xi}$. The physics is then described in a kind of interaction picture, called the condensate picture, in which the phonon operator can be expressed as $\ensuremath{\chi}(\mathbf{x},t)={\ensuremath{\sum}}_{k}{\ensuremath{\xi}}_{k}(\mathbf{x},t){\ensuremath{\alpha}}_{k},$ where the operators ${\ensuremath{\alpha}}_{k}$ are time-independent annihilation operators, and the state vector has a time evolution described by a Schr\"odinger equation in which the Hamiltonian is a time-dependent quadratic form in the phonon creation and annihilation operators, whose coefficients are explicitly determined in terms of the time-dependent condensate wave function $\ensuremath{\xi}(\mathbf{x},t)$.