Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:1405.3744 · Physical Review A

Coupled-pair approach for strongly interacting trapped fermionic atoms

C. J. Bradly, Brendan C. Mulkerin, A. Martin, Harry M. Quiney

Published Aug 19, 2014• 7 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1103/physreva.90.023626

Related papers

Analysis of two and three dipolar bosons in a spherical harmonic trap

C. J. Bradly, Harry M. Quiney, A. Martin

As dipolar gases become more readily accessible in experiment there is a need to develop a comprehensive theoretical framework of the few-body physics of these systems. Here, we extend the coupled-pair approach developed for the unitary two-component Fermi gas to a few-body system of dipolar bosons in a spherical harmonic trap. The long range and anisotropy of the dipole-dipole interaction is handled by a flexible and efficient correlated Gaussian basis with stochastically variational optimization. Solutions of the two-body problem are used to calculate the eigenenergy spectrum and structural properties of three trapped bosonic dipoles. This demonstrates the efficiency and flexibility of the coupled-pair approach at dealing with systems with complex interactions.

arXiv:1510.04757•Physical Review A•Jan 12, 2016•0 citations

Energetic and structural properties of two-dimensional trapped mesoscopic Fermi gases

Emma Laird, Brendan C. Mulkerin, Jia Wang +1 more

We theoretically investigate equal-mass spin-balanced two-component Fermi gases in which pairs of atoms with opposite spins interact via a short-range isotropic model potential. We probe the distinction between two-dimensional and quasi-two-dimensional harmonic confinement by tuning the effective range parameter within two-dimensional scattering theory. Our approach, which yields numerically exact energetic and structural properties, combines a correlated Gaussian basis-set expansion with the stochastic variational method. For systems containing up to six particles, we: 1) Present the ground- and excited-state energy spectra; 2) Study non-local correlations by analysing the one- and two-body density matrices, extracting from these the occupation numbers of natural orbitals, the momentum distributions of atoms and pairs, and the molecular `condensate fraction’; 3) Study local correlations by computing the radial and pair distribution functions. This paper extends current theoretical knowledge on the properties of trapped few-fermion systems as realised in state-of-the-art cold-atom experiments.

arXiv:2506.20891•SciPost Physics Core•Apr 9, 2026•0 citations

Universal and non-universal properties of ultracold few-atom systems

Xiangyu Yin

Ultracold atomic systems have been of great theoretical and experimental interest in the past few decades.They provide ideal paradigms to study quantum phenomena, simulate condensed matter systems, and could potentially become a platform for quantum computations.This thesis focuses on the theoretical investigation of universal and non-universal properties of ultracold few-atom systems.The goal of this thesis is to answer or provide insights into several interesting open questions.First, what is the role of the non-universal three-body parameter in weakly-interacting harmonically trapped Bose gases and at which order does it kick in?Second, how large is the ground state energy of small two-component Fermi gases with infinitely strong interactions compared to their non-interacting counterparts?Lastly, what is the interplay between the spin-orbit coupling and the s-wave two-body interaction and how does it affect the energy spectrum of the two-atom system?In order to answer these questions, we develop and employ different analytical and numerical techniques.A perturbative effective field theory treatment to study the weaklyinteracting trapped Bose gas is employed.The treatment is extended to up to fourth-order perturbation theory and techniques to regularize the diverging sums are developed.A logarithmic divergence in the three-body sector is identified and the need for a non-universal three-body parameter is shown.v The explicitly correlated Gaussian method is used to calculate the ground state energy of small trapped two-component Fermi gases with up to ten particles.A code is developed from scratch and parallelized.An improved optimization scheme is developed.A novel technique to remove the finite-range dependence is proposed and tested.Our calculations serve as benchmarks for other numerical techniques.The explicitly correlated Gaussian method is extended to treat systems with periodic boundary conditions for the first time.Standard perturbation theory is used to treat the spin-orbit coupling term in trapped two-atom systems.Our treatment is based on the exact two-body zero-range solution in the trap.The interplay between the spin-orbit coupling and the two-body s-wave interaction is investigated and shown to have a great impact on the energy spectrum for certain parameter combinations.

•Jan 1, 2015•0 citations

Trapped unitary two-component Fermi gases with up to ten particles

Xiangyu Yin, D. Blume

The properties of two-component Fermi gases with zero-range interactions are universal. We use an explicitly correlated Gaussian basis set expansion approach to investigate small equal-mass two-component Fermi gases under spherically symmetric external harmonic confinement. At unitarity, we determine the ground-state energy for systems with up to 10 particles interacting through finite-range two-body potentials for both even and odd numbers of particles. We extrapolate the energies to the zero-range limit using a novel scheme that removes the linear and, in some cases, also the quadratic dependence of the ground-state energies on the two-body range. Our extrapolated zero-range energies are compared with results from the literature. We also calculate the two-body Tan contact and structural properties.

arXiv:1504.04414•Physical Review A•Jul 6, 2015•23 citations

Trapped two-component Fermi gases with up to six particles: Energetics, structural properties, and molecular condensate fraction

D. Blume, K. M. Daily

We investigate small equal-mass two-component Fermi gases under external spherically symmetric confinement in which atoms with opposite spins interact through a short-range two-body model potential. We employ a non-perturbative microscopic framework, the stochastic variational approach, and determine the system properties as functions of the interspecies s -wave scattering length a s , the orbital angular momentum L of the system, and the numbers N 1 and N 2 of spin-up and spin-down atoms (with N 1 − N 2 = 0 or 1 and N ⩽ 6 , where N = N 1 + N 2 ). At unitarity, we determine the energies of the five- and six-particle systems for various ranges r 0 of the underlying two-body model potential and extrapolate to the zero-range limit. These energies serve as benchmark results that can be used to validate and assess other numerical approaches. We also present structural properties such as the pair distribution function and the radial density. Furthermore, we analyze the one-body and two-body density matrices. A measure for the molecular condensate fraction is proposed and applied. Our calculations show explicitly that the natural orbitals and the momentum distributions of atomic Fermi gases approach those characteristic for a molecular Bose gas if the s -wave scattering length a s , a s > 0 , is sufficiently small.

arXiv:1008.3191•Comptes Rendus Physique•Jan 1, 2011•28 citations

Energetics and structural properties of trapped two-component Fermi gases

J. von Stecher, Chris H. Greene, D. Blume

Using two different numerical methods, we study the behavior of two-component Fermi gases interacting through short-range $s$-wave interactions in a harmonic trap. A correlated Gaussian basis-set expansion technique is used to determine the energies and structural properties, i.e., the radial one-body densities and pair distribution functions, for small systems with either even or odd $N$, as functions of the $s$-wave scattering length and the mass ratio $\ensuremath{\kappa}$ of the two species. Particular emphasis is put on a discussion of the angular momentum of the system in the BEC-BCS crossover regime. At unitarity, the excitation spectrum of the four-particle system with total angular momentum $L=0$ is calculated as a function of the mass ratio $\ensuremath{\kappa}$. The results are analyzed from a hyperspherical perspective, which offers unique insight into the problem. Additionally, fixed-node diffusion Monte Carlo calculations are performed for equal-mass Fermi gases with up to $N=30$ atoms. We focus on the odd-even oscillations of the ground-state energy of the equal-mass unitary system having up to $N=30$ particles, which are related to the excitation gap of the system. Furthermore, we present a detailed analysis of the structural properties of these systems.

arXiv:0801.2747•Physical Review A•Apr 16, 2008•84 citations
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 NNN 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.
As dipolar gases become more readily accessible in experiment there is a need to develop a comprehensive theoretical framework of the few-body physics of these systems. Here, we extend the coupled-pair approach developed for the unitary two-component Fermi gas to a few-body system of dipolar bosons in a spherical harmonic trap. The long range and anisotropy of the dipole-dipole interaction is handled by a flexible and efficient correlated Gaussian basis with stochastically variational optimization. Solutions of the two-body problem are used to calculate the eigenenergy spectrum and structural properties of three trapped bosonic dipoles. This demonstrates the efficiency and flexibility of the coupled-pair approach at dealing with systems with complex interactions.
We theoretically investigate equal-mass spin-balanced two-component Fermi gases in which pairs of atoms with opposite spins interact via a short-range isotropic model potential. We probe the distinction between two-dimensional and quasi-two-dimensional harmonic confinement by tuning the effective range parameter within two-dimensional scattering theory. Our approach, which yields numerically exact energetic and structural properties, combines a correlated Gaussian basis-set expansion with the stochastic variational method. For systems containing up to six particles, we: 1) Present the ground- and excited-state energy spectra; 2) Study non-local correlations by analysing the one- and two-body density matrices, extracting from these the occupation numbers of natural orbitals, the momentum distributions of atoms and pairs, and the molecular `condensate fraction’; 3) Study local correlations by computing the radial and pair distribution functions. This paper extends current theoretical knowledge on the properties of trapped few-fermion systems as realised in state-of-the-art cold-atom experiments.
Ultracold atomic systems have been of great theoretical and experimental interest in the past few decades.They provide ideal paradigms to study quantum phenomena, simulate condensed matter systems, and could potentially become a platform for quantum computations.This thesis focuses on the theoretical investigation of universal and non-universal properties of ultracold few-atom systems.The goal of this thesis is to answer or provide insights into several interesting open questions.First, what is the role of the non-universal three-body parameter in weakly-interacting harmonically trapped Bose gases and at which order does it kick in?Second, how large is the ground state energy of small two-component Fermi gases with infinitely strong interactions compared to their non-interacting counterparts?Lastly, what is the interplay between the spin-orbit coupling and the s-wave two-body interaction and how does it affect the energy spectrum of the two-atom system?In order to answer these questions, we develop and employ different analytical and numerical techniques.A perturbative effective field theory treatment to study the weaklyinteracting trapped Bose gas is employed.The treatment is extended to up to fourth-order perturbation theory and techniques to regularize the diverging sums are developed.A logarithmic divergence in the three-body sector is identified and the need for a non-universal three-body parameter is shown.v The explicitly correlated Gaussian method is used to calculate the ground state energy of small trapped two-component Fermi gases with up to ten particles.A code is developed from scratch and parallelized.An improved optimization scheme is developed.A novel technique to remove the finite-range dependence is proposed and tested.Our calculations serve as benchmarks for other numerical techniques.The explicitly correlated Gaussian method is extended to treat systems with periodic boundary conditions for the first time.Standard perturbation theory is used to treat the spin-orbit coupling term in trapped two-atom systems.Our treatment is based on the exact two-body zero-range solution in the trap.The interplay between the spin-orbit coupling and the two-body s-wave interaction is investigated and shown to have a great impact on the energy spectrum for certain parameter combinations.
The properties of two-component Fermi gases with zero-range interactions are universal. We use an explicitly correlated Gaussian basis set expansion approach to investigate small equal-mass two-component Fermi gases under spherically symmetric external harmonic confinement. At unitarity, we determine the ground-state energy for systems with up to 10 particles interacting through finite-range two-body potentials for both even and odd numbers of particles. We extrapolate the energies to the zero-range limit using a novel scheme that removes the linear and, in some cases, also the quadratic dependence of the ground-state energies on the two-body range. Our extrapolated zero-range energies are compared with results from the literature. We also calculate the two-body Tan contact and structural properties.
We investigate small equal-mass two-component Fermi gases under external spherically symmetric confinement in which atoms with opposite spins interact through a short-range two-body model potential. We employ a non-perturbative microscopic framework, the stochastic variational approach, and determine the system properties as functions of the interspecies s -wave scattering length a s , the orbital angular momentum L of the system, and the numbers N 1 and N 2 of spin-up and spin-down atoms (with N 1 − N 2 = 0 or 1 and N ⩽ 6 , where N = N 1 + N 2 ). At unitarity, we determine the energies of the five- and six-particle systems for various ranges r 0 of the underlying two-body model potential and extrapolate to the zero-range limit. These energies serve as benchmark results that can be used to validate and assess other numerical approaches. We also present structural properties such as the pair distribution function and the radial density. Furthermore, we analyze the one-body and two-body density matrices. A measure for the molecular condensate fraction is proposed and applied. Our calculations show explicitly that the natural orbitals and the momentum distributions of atomic Fermi gases approach those characteristic for a molecular Bose gas if the s -wave scattering length a s , a s > 0 , is sufficiently small.
Using two different numerical methods, we study the behavior of two-component Fermi gases interacting through short-range sss-wave interactions in a harmonic trap. A correlated Gaussian basis-set expansion technique is used to determine the energies and structural properties, i.e., the radial one-body densities and pair distribution functions, for small systems with either even or odd NNN, as functions of the sss-wave scattering length and the mass ratio $\ensuremath{\kappa}$ of the two species. Particular emphasis is put on a discussion of the angular momentum of the system in the BEC-BCS crossover regime. At unitarity, the excitation spectrum of the four-particle system with total angular momentum L=0L=0L=0 is calculated as a function of the mass ratio $\ensuremath{\kappa}$. The results are analyzed from a hyperspherical perspective, which offers unique insight into the problem. Additionally, fixed-node diffusion Monte Carlo calculations are performed for equal-mass Fermi gases with up to N=30N=30N=30 atoms. We focus on the odd-even oscillations of the ground-state energy of the equal-mass unitary system having up to N=30N=30N=30 particles, which are related to the excitation gap of the system. Furthermore, we present a detailed analysis of the structural properties of these systems.