Quantum many-body systems can be studied theoretically from first principles using microscopic models, but the computational cost of numerically exact calculations increases exponentially with the number of particles and the complexity of the interaction, limiting the systems that can be analysed. The Hartree-Fock-Bogoliubov (HFB) and quasiparticle random phase approximation (QRPA) methods, heavily used in nuclear physics, rely on mean-field approximations but scale more favourably with increasing system size and complexity. In this work we apply these methods to the problem of a two-dimensional harmonically trapped Fermi gas with attractive interactions, with the goal of investigating the validity of the approximations in the few-body limit. We implement the approximate methods in code and then compare them with exact calculations. We find that the HFB method can account for pairing correlations that arise due to the attractive interaction, predicting well the ground state energy even at high interaction strengths. Also, the excitation spectra predicted by the QRPA method qualitatively match the true spectra, reproducing the expected subset of excitations. Finally, we see that perturbative corrections can be used to improve the ground state energy estimate of the HFB.
While Hartree-Fock theory is well established as a fundamental approximation for interacting fermions, it has been unclear how to describe corrections to it due to many-body correlations. In this paper we start from the Hartree-Fock state given by plane waves and introduce collective particle-hole pair excitations. These pairs can be approximately described by a bosonic quadratic Hamiltonian. We use Bogoliubov theory to construct a trial state yielding a rigorous Gell-Mann-Brueckner-type upper bound to the ground state energy. Our result justifies the random-phase approximation in the mean-field scaling regime, for repulsive, regular interaction potentials.
Ground-state Hartree-Fock-Bogoliubov (HFB) theory is applied to imbalanced spin-
1/2 one-dimensional (1D) Fermi systems that are spatially confined by either a harmonic or a hard-wall trapping potential. It has been hoped that such systems, which can be realized using ultracold atomic gases, would exhibit the long-sought-after Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) superfluid phase. The HFB formalism generalizes the standard Bogoliubov quasiparticle transformation by allowing for Cooper pairing to exist between all possible single-particle states and accounts for the effects of the inhomogeneous trapping potential as well as the mean-field Hartree potential. This provides an unbiased framework to describe inhomogeneous densities and pairing correlations in the FFLO state of a confined 1D gas. In a harmonic trap, numerical minimization of the HFB ground-state energy yields a spatially oscillating order parameter reminiscent of the FFLO state. However, we find that this state has almost no imprint in the local fermion densities (consistent with experiments that found no evidence of the FFLO phase). In contrast, for a hard-wall geometry, we find a strong signature of the spatial oscillations of the FFLO pairing amplitude reflected in the local in situ densities. In the hard-wall case, the excess spins are strongly localized near regions where there is a node in the pairing amplitude, creating an unmistakable crystalline modulation of the density.
Background: The variational Hartree-Fock-Bogoliubov (HFB) mean-field theory is the starting point of various (ab initio) many-body methods dedicated to superfluid systems. In this context, pairing correlations may be driven towards zero either on purpose via HFB calculations constrained on, e.g., the particle-number variance or simply because internucleon interactions cannot sustain pairing correlations in the first place in, e.g., closed-shell systems. While taking this limit constitutes a text-book problem when the system is of closed-shell character, it is typically, although wrongly, thought to be ill-defined whenever the naive filling of single-particle levels corresponds to an open-shell system.Purpose: The present work demonstrates that the zero-pairing limit of an HFB state is well-defined independently of the average particle number
A it is constrained to. Still, the nature of the limit state is shown to depend on the regime, i.e., on whether the nucleus characterizes as a closed-shell or an open-shell system when taking the limit. Finally, the consequences of the zero-pairing limit on Bogoliubov many-body perturbation theory (BMBPT) calculations performed on top of the HFB reference state are illustrated.Methods: The zero-pairing limit of a HFB state constrained to carry an arbitrary (integer) number of particles
A on average is worked out analytically and realized numerically using a two-nucleon interaction derived within the frame of chiral effective field theory.Results: The zero-pairing limit of the HFB state is mathematically well-defined, independently of the closed- or open-shell character of the system in the limit. Still, the nature of the limit state strongly depends on the underlying shell structure and on the associated naive filling reached in the zero-pairing limit for the particle number
A of interest. First, the textbook situation is recovered for closed-shell systems, i.e., the limit state is reached for a finite value of the pairing strength (the well-known BardeenCooperSchrieffer (BCS) collapse) and takes the form of a single Slater determinant displaying (i) zero pairing energy, (ii) nondegenerate elementary excitations, and (iii) zero particle-number variance. Contrarily, a nonstandard situation is obtained for open-shell systems, i.e., the limit state is only reached for a zero value of the pairing interaction (no BCS collapse) and takes the form of a specific finite linear combination of Slater determinants displaying (a) a nonzero pairing energy, (b) degenerate elementary excitations, and (c) a nonzero particle-number variance for which an analytical formula is derived. This nonzero particle-number variance acts as a lower bound that depends in a specific way on the number of valence nucleons and on the degeneracy of the valence shell. All these findings are confirmed and illustrated numerically. Last but not least, BMBPT calculations of closed-shell (open-shell) nuclei are shown to be well-defined (ill-defined) in the zero-pairing limit.Conclusions: While HFB theory has been intensively scrutinized formally and numerically over the last decades, it still uncovers unknown and somewhat unexpected features. In the present paper, the zero-pairing limit of a HFB state carrying an arbitrary number of particles has been worked out and shown to lead to drastic differences and consequences depending on the closed-shell or open-shell nature of the system in that limit. From a general perspective, the present analysis demonstrates that HFB theory does not reduce to HF theory when the pairing field is driven to zero in the HFB Hamiltonian matrix.
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.
We present a coupled-pair approach for studying few-body physics in harmonically trapped ultracold gases. The method is applied to a two-component Fermi system of
N particles. A stochastically variational Gaussian expansion method is applied, focusing on optimization of the two-body correlations present in the strongly interacting, or unitary, limit. The ground-state energy of the four-, six- and eight-body problem with equal spin populations is calculated with high accuracy and minimal computational effort. We also calculate the structural properties of these systems and discuss their implication for the many-body ultracold gas and other few-body calculations.
The solution of the quantum many-body problem for medium-mass nuclei using realistic nuclear interactions poses a superbe challenge for nuclear structure research. Because an exact solution can only be provided for the lightest nuclei, one has to rely on approximate solutions when proceeding to heavier systems. Over the past years, tremendous progress has been made in the development and application of systematically improvable expansion methods and an accurate description of nuclear observables has become viable up to mass number
A≈100. While closed-shell systems are consistently described via a plethora of different many-body methods, the extension to genuine open-shell systems still remains a major challenge and up to now there is no \textit{ab initio} many-body method which applies equally well to systems with even and odd mass numbers. The goal of this thesis is the development and implementation of innovative perturbative approaches with genuine open-shell capabilities. This requires the extension of well-known single-reference approaches to more general vacua. In this work we choose two complementary routes for the usage of generalized reference states. First, we derive a new \emph{ab initio} approach based on multi-configurational reference states that are conveniently derived from a prior no-core shell model calculation. Perturbative corrections are derived via second-order many-body perturbation theory, thus, merging configuration interaction and many-body perturbation theory. The generality of this ansatz enables for a treatment of medium-mass systems with arbitrary mass number, as well as the extension to low-lying excited states such that ground and excited states are treated on an equal footing. In a complementary approach, we use reference states that break a symmetry of the underlying Hamiltonian. In the simplest case this corresponds to the expansion around a particle-number-broken Hartree-Fock-Bogoliubov vacuum which is obtained from a mean-field calculation. Pairing correlations are already absorbed in the reference state. The mild scaling allows for investigations up to tin isotopic chains. All benchmarks were performed using state-of-the-art chiral two- plus three-nucleon interactions thus allowing for a universal description of nuclear observables in the medium-mass regime.