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arXiv:1310.3829 · Journal of Physics B Atomic Molecular and Optical Physics

Three interacting atoms in a one-dimensional trap: a benchmark system for computational approaches

Pino D’Amico, Massimo Rontani

Published Feb 28, 2014• 33 citations
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Abstract

We provide an accurate calculation of the energy spectrum of three atoms interacting through a contact force in a one-dimensional harmonic trap, considering both spinful fermions and spinless bosons. We use fermionic energies as a benchmark for the exact-diagonalization technique (also known as full configuration interaction), which is found to slowly converge in the case of strong inter-atomic attraction.

DOI
10.1088/0953-4075/47/6/065303

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We provide an accurate calculation of the energy spectrum of three atoms interacting through a contact force in a one-dimensional harmonic trap, considering both spinful fermions and spinless bosons. We use fermionic energies as a benchmark for the exact-diagonalization technique (also known as full configuration interaction), which is found to slowly converge in the case of strong inter-atomic attraction.
We employ ab initio methods of quantum chemistry to investigate spin-1/2 fermions interacting via a two-body contact potential in a one-dimensional harmonic trap. The convergence of the total energy with the size of the one-particle basis set is analytically investigated for the two-body problem and the same form of the convergence formula is numerically confirmed to be valid for the many-body case. Benchmark calculations for two to six fermions with the full configuration interaction method equivalent to the exact diagonalization approach, and the coupled cluster (CC) method including single, double, triple, and quadruple excitations are presented. The convergence of the correlation energy with the level of excitations included in the CC model is analyzed. The range of the interaction strength for which single-reference CC methods work is examined. Next, the CC method restricted to single, double, and noniterative triple excitations, CCSD(T), is employed to study a two-component Fermi gas composed of 6–80 atoms in a one-dimensional harmonic trap. The density profiles of trapped atomic clouds are also reported. Finally, a comparison with experimental results for few-fermion systems is presented. Upcoming possible applications and extensions of the presented approach are discussed.
We conduct a theoretical study of SU(N\mathrm{SU}(NSU(N) fermions confined by a one-dimensional harmonic potential. First, we introduce a numerical approach for solving the trapped interacting few-body problem, by which one may obtain accurate energy spectra across the full range of interaction strengths. In the strong-coupling limit, we map the SU(N\mathrm{SU}(NSU(N) Hamiltonian to a spin-chain model. We then show that an existing, extremely accurate ansatz---derived for a Heisenberg SU(2) spin chain---is extendable to these NNN-component systems. Lastly, we consider balanced SU(N\mathrm{SU}(NSU(N) Fermi gases that have an equal number of particles in each spin state for N=2,3,4N=2,\phantom{\rule{0.16em}{0ex}}3,\phantom{\rule{0.16em}{0ex}}4N=2,3,4. In the weak- and strong-coupling regimes, we find that the ground-state energies rapidly converge to their expected values in the thermodynamic limit with increasing atom number. This suggests that the many-body energetics of NNN-component fermions may be accurately inferred from the corresponding few-body systems of NNN distinguishable particles.
One-dimensional spinless Bose and Fermi gases with contact interactions have the close interrelation via Girardeau's Bose-Fermi mapping, leading to the correspondences in their energy spectra and thermodynamics. However, correlation functions are in general not identical between these systems. We derive in both systems the exact universal relations for correlation functions, which hold for any energy eigenstate and any statistical ensemble of the eigenstates with or without a trapping potential. These relations include the large-momentum behaviors of static structure factors and of momentum distributions as well as energy relations, which connect the sums of kinetic and interaction energies to the momentum distributions. The relations involve two- and three-body contacts, which are the integrals of local pair and triad correlations, respectively. We clarify how the relations for bosons and fermions differ and are connected with each other. In particular, we find that the three-body contact makes no contribution to the bosonic energy relation, but it plays a crucial role in the fermionic one. In addition, we compute the exact momentum distribution for any number of fermions in the unitary limit.
We study a few Fermi atoms interacting through attractive contact forces in a one-dimensional trap by means of numerical exact diagonalization. From the combined analysis of energies and wave functions of correlated ground and excited states we find evidence of BCS-like pairing even for very few atoms. For moderate interaction strength, we reproduce the even-odd oscillation of the separation energy observed in Z\"urn, Wenz, Murmann, Bergschneider, Lompe, and Jochim, Phys. Rev. Lett. 111, 175302 (2013). For strong interatomic attraction the arrangement of dimers in the trap differs from the homogeneous case as a consequence of Pauli blockade in real space.
Recent theoretical and experimental progress on studying one-dimensional systems of bosonic, fermionic, and Bose-Fermi mixtures of a few ultracold atoms confined in traps is reviewed in the broad context of mesoscopic quantum physics. We pay special attention to limiting cases of very strong or very weak interactions and transitions between them. For bosonic mixtures, we describe the developments in systems of three and four atoms as well as different extensions to larger numbers of particles. We also briefly review progress in the case of spinor Bose gases of a few atoms. For fermionic mixtures, we discuss a special role of spin and present a detailed discussion of the two- and three-atom cases. We discuss the advantages and disadvantages of different computation methods applied to systems with intermediate interactions. In the case of very strong repulsion, close to the infinite limit, we discuss approaches based on effective spin chain descriptions. We also report on recent studies on higher-spin mixtures and inter-component attractive forces. For both statistics, we pay particular attention to impurity problems and mass imbalance cases. Finally, we describe the recent advances on trapped Bose-Fermi mixtures, which allow for a theoretical combination of previous concepts, well illustrating the importance of quantum statistics and inter-particle interactions. Lastly, we report on fundamental questions related to the subject which we believe will inspire further theoretical developments and experimental verification.