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arXiv:cond-mat/0701384 · Physical Review A

Multiscale quantum-defect theory for two interacting atoms in a symmetric harmonic trap

Yujun Chen, Bo Gao

Published May 3, 2007• 20 citations
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Abstract

We present a multiscale quantum-defect theory for two identical atoms in a symmetric harmonic trap that combines the quantum-defect theory for the van der Waals interaction [B. Gao, Phys. Rev. A 64, 010701(R) (2001)] at short distances with a quantum-defect theory for the harmonic trapping potential at large distances. The theory provides a systematic understanding of two atoms in a trap, from deeply bound molecular states and states of different partial waves, to highly excited trap states. It shows, e.g., that a strong $p$-wave pairing can lead to a lower energy state around the threshold than a $s$-wave pairing.

DOI
10.1103/physreva.75.053601

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We present a multiscale quantum-defect theory for two identical atoms in a symmetric harmonic trap that combines the quantum-defect theory for the van der Waals interaction [B. Gao, Phys. Rev. A 64, 010701(R) (2001)] at short distances with a quantum-defect theory for the harmonic trapping potential at large distances. The theory provides a systematic understanding of two atoms in a trap, from deeply bound molecular states and states of different partial waves, to highly excited trap states. It shows, e.g., that a strong ppp-wave pairing can lead to a lower energy state around the threshold than a sss-wave pairing.
We present a unified exact analytic solution of the radial Schrödinger equation with a class of four long-range potentials, three of which are two-scale. The physics of different potentials are encapsulated in the solution variable and parameters. Based on this solution and its asymptotic behaviors, we generalize Bo Gao’s formulation of quantum defect theory for single-scale potentials to two-scale regime. As an application of this two-scale quantum defect theory, we propose a concept of harmonic oscillator quantum defect of energy levels in a spherical harmonic trap, which characterizes the effect of the two-body interactions on their trap states. This concept is a generalization of the standard quantum defect for Coulomb potential, with a distinct feature that the equations followed by the two types of quantum defects induced by the potentials under study are formally the same yet with different parameters. Examples of these two quantum defects are illustrated for Rb and Cs atoms.
Abstract In this paper, we have provided exact two-body solutions to the 2D and 3D Schrödinger equations with isotropic van der Waals potentials of the form ± 1 / r 6 . Based on these solutions, we developed an analytical quantum defect theory (QDT) applicable to both quasi-2D and 3D geometries, and applied it to study the scattering properties and bound-state spectra of ultracold polar molecules confined in these geometries. Interestingly, we find that in the attractive (repulsive) van der Waals potential case, the short-range interaction can be effectively modeled by an infinite square barrier (finite square well), which leads to narrow and dense (broad and sparse) resonance structures in the quantum defect parameter. In the quasi-2D attractive case, shape resonances can appear in an ordered fashion across different partial waves, characterized by sharp phase jumps as the scattering energy is varied. Furthermore, the low-energy analytical expansions derived from QDT show excellent agreement with the exact numerical results, validating the accuracy and usefulness of our analytical approach in describing two-body physics governed by long-range van der Waals interactions.
We present a variational Monte Carlo formulation for the universal equations of state at the van der Waals length scale [B. Gao, J. Phys. B 37, L227 (2004)] for NNN Bose atoms in a trap. The theory illustrates both how such equations of state can be computed exactly, and the existence and the importance of long-range atom-atom correlation under strong confinement. Explicit numerical results are presented for N=3N=3N=3 and 5, and used to provide a quantitative understanding of the shape-dependent confinement correction that is important for few atoms under strong confinement.
We consider the feasibility of observing a trap-induced resonance [Stock et al., Phys. Rev. Lett. 91, 183201 (2003)] for the case of two 133Cs^{133}\mathrm{Cs}133Cs atoms, trapped in separated wells of a polarization-gradient optical lattice, and interacting through a multichannel scattering process. Due to the anomalously large scattering length of cesium dimers, a strong coupling can occur between vibrational states of the trap and a weakly bound molecular state that is made resonant by the ac Stark shift of the lattice. We calculate the energy spectrum of the two-atom system as a function of the distance between two potential wells by connecting the solutions of the Schr\"odinger equation for the short-range molecular potential to that of the long-range trap in a self-consistent manner. The short-range potential is treated through a multichannel pseudopotential, parametrized by the KKK matrix, calculated numerically for atoms in free space in a close-coupling approximation. This captures both the bound molecular spectrum as well as the energy-dependent scattering for all partial waves. We establish realistic operating conditions under which the trap-induced resonance could be observed and show that this strong and coherent interaction could be used as a basis for high-fidelity two-qubit quantum logic operations.
We derive analytical solutions for the system of two ultracold spin-polarized fermions interacting in ppp wave and confined in an axially symmetric harmonic trap. To this end we utilize ppp-wave pseudopotential with an energy-dependent scattering volume. This allows to describe the scattering in tight trapping potentials in the presence of scattering resonances. We verify predictions of the pseudopotential treatment for some model interaction potential obtaining an excellent agreement with exact energy levels. Then we turn to the experimentally relevant case of neutral atom interactions in the vicinity of a ppp-wave Feshbach resonance. In the framework of the multichannel quantum-defect theory we derive relatively simple formula for an energy-dependent scattering volume, and later we apply it to investigate the energy spectrum of trapped atoms close to the ppp-wave Feshbach resonance.
We analyze a system of two colliding ultracold atoms under strong harmonic confinement from the viewpoint of quantum defect theory and formulate a generalized self-consistent method for determining the allowed energies. We also present two highly efficient computational methods for determining the bound state energies and eigenfunctions of such systems. The perturbed harmonic oscillator problem is characterized by a long asymptotic region beyond the effective range of the interatomic potential. The first method, which is based on quantum defect theory and is an adaptation of a technique developed by one of the authors (G.P.) for highly excited states in a modified Coulomb potential, is very efficient for integrating through this outer region. The second method is a direct numerical solution of the radial Schr\"odinger equation using a discrete variable representation of the kinetic energy operator and a scaled radial coordinate grid. The methods are applied to the case of trapped spin-polarized metastable helium atoms. The calculated eigenvalues agree very closely for the two methods, and with the eigenvalues computed using the generalized self-consistent method.