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arXiv:1508.02378 · New Journal of Physics

Many interacting fermions in a one-dimensional harmonic trap: a quantum-chemical treatment

Tomasz Grining, Michał Tomza, Michał Lesiuk, Michał Przybytek, Monika Musiał, Pietro Massignan, Maciej Lewenstein, Robert Moszyński

Published Oct 26, 2015• 51 citations

Abstract

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.

DOI: 10.1088/1367-2630/17/11/115001

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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.

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We explore a few-fermion mixture consisting of two components that are repulsively interacting and confined in a one-dimensional harmonic trap. Different scenarios of population imbalance ranging from the completely imbalanced case where the physics of a single impurity in the Fermi sea is discussed to the partially imbalanced and equal population configurations are investigated. For the numerical calculations the multiconfigurational time-dependent Hartree method is employed, extending its application to few-fermion systems. Apart from numerical calculations we generalize our ansatz for a correlated pair wave function proposed recently [I. Brouzos and P. Schmelcher, Phys. Rev. Lett. 108, 045301 (2012)] for bosons to mixtures of fermions. From weak to strong coupling between the components the energies, the densities and the correlation properties of one-dimensional systems change vastly with an upper limit set by fermionization where for infinite repulsion all fermions can be mapped to identical ones. The numerical and analytical treatments are in good agreement with respect to the description of this crossover. We show that for equal populations each pair of different component atoms splits into two single peaks in the density while for partial imbalance additional peaks and plateaus arise for very strong interaction strengths. The case of a single-impurity atom shows rich behavior of the energy and density as we approach fermionization and is directly connected to recent experiments [G. Z\"urn et al., Phys. Rev. Lett. 108, 075303 (2012)].

We conduct a theoretical study of

\mathrm{SU}(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

\mathrm{SU}(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

N

-component systems. Lastly, we consider balanced

\mathrm{SU}(N

) Fermi gases that have an equal number of particles in each spin state for

N=2,\phantom{\rule{0.16em}{0ex}}3,\phantom{\rule{0.16em}{0ex}}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

N

-component fermions may be accurately inferred from the corresponding few-body systems of

N

distinguishable particles.

We provide a detailed study of the properties of a few interacting spin 1 / 2 fermions trapped in a one-dimensional harmonic oscillator potential. The interaction is assumed to be well represented by a contact delta potential. Numerical results obtained by means of direct diagonalization techniques are combined with analytical expressions for both the non-interacting and strongly interacting regime. The N = 2 case is used to benchmark our numerical techniques with the known exact solution of the problem. After a detailed description of the numerical methods, in a tutorial-like manner, we present the static properties of the system for N = 2 , 3 , 4 and 5 particles, e.g., low-energy spectrum, one-body density matrix, ground-state densities. Then, we consider dynamical properties of the system exploring first the excitation of the breathing mode, using the dynamical structure function and corresponding sum-rules, and then a sudden quench of the interaction strength.

An asymptotically exact many-body theory for spin-polarized interacting fermions in a one-dimensional harmonic atom trap is developed using the bosonization method and including backward scattering. In contrast to the Luttinger model, backscattering in the trap generates one-particle potentials which must be diagonalized simultaneously with the two-body interactions. Inclusion of backscattering becomes necessary because backscattering is a dominant interaction process between confined identical one-dimensional fermions. The bosonization method is applied to the calculation of one-particle matrix elements at zero temperature. A detailed discussion of the validity of the results from bosonization is given, including a comparison with direct numerical diagonalization in fermionic Hilbert space. A model for the interaction coefficients is developed along the lines of the Luttinger model with only one coupling constant K. With these results, particle densities, the Wigner function, and the central pair-correlation function are calculated and displayed for large fermion numbers. It is shown how interactions modify these quantities. The anomalous dimension of the pair-correlation function in the center of the trap is also discussed and found to be in accord with the Luttinger model.