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arXiv:2108.01025 · Physical Review Research

Universal energy-dependent pseudopotential for the two-body problem of confined ultracold atoms

Da-Wu Xiao, Ren Zhang, Peng Zhang

Published Feb 11, 2022• 4 citations
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Abstract

The two-body scattering amplitude and energy spectrum of confined ultracold atoms are of fundamental importance for both theoretical and experimental studies of ultracold-atom physics. For many systems, one can efficiently calculate these quantities via the zero-range Huang-Yang pseudopotential (HYP), in which the interatomic interaction is characterized by the scattering length $a$. Furthermore, when the scattering length is dependent on the kinetic energy ${\ensuremath{\varepsilon}}_{\mathrm{r}}$ of two-atom relative motion, i.e., $a=a({\ensuremath{\varepsilon}}_{\mathrm{r}})$, the results are applicable for a broad energy region. However, when the free Hamiltonian of atomic internal state (e.g., the Zeeman Hamiltonian) does not commute with the interatomic interaction, or the center-of-mass (c.m.) motion is coupled to the relative motion, the generalization of this technique is still lacking. In this work we solve this problem and construct a reasonable energy-dependent multichannel HYP, which is characterized by a ``scattering length operator'' ${\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{a}}_{\mathrm{eff}}$, for the above complicated cases. Here, ${\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{a}}_{\mathrm{eff}}$ is an operator for atomic internal states and c.m. motion, and depends on both the total two-atom energy and the external field as well as the trapping parameter. The effects from the internal-state or c.m.-relative motion coupling can be self-consistently taken into account by ${\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{a}}_{\mathrm{eff}}$. We further show a method based on the quantum defect theory, with which ${\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{a}}_{\mathrm{eff}}$ can be analytically derived for systems with van der Waals interatomic interaction. To demonstrate our method, we calculate the spectrum of two ultracold fermionic alkaline-earth-like atoms [in electronic $^{1}S_{0}$ $(|g\ensuremath{\rangle})$ and $^{3}P_{0}$ $(|e\ensuremath{\rangle})$ states, respectively] confined in an optical lattice. By comparing our results with the recent experimental measurements for two $^{173}\mathrm{Yb}$ atoms and two $^{171}\mathrm{Yb}$ atoms, we calibrate the scattering lengths ${a}_{\ifmmode\pm\else\textpm\fi{}}$ with respect to antisymmetric and symmetric nuclear-spin states to be ${a}_{+}=2012(19){a}_{0}$ and ${a}_{\ensuremath{-}}=193(4){a}_{0}$ for $^{173}\mathrm{Yb}$, and ${a}_{+}=232(3){a}_{0}$ and ${a}_{\ensuremath{-}}=372(1){a}_{0}$ for $^{171}\mathrm{Yb}$.

DOI
10.1103/physrevresearch.4.013112

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The two-body scattering amplitude and energy spectrum of confined ultracold atoms are of fundamental importance for both theoretical and experimental studies of ultracold-atom physics. For many systems, one can efficiently calculate these quantities via the zero-range Huang-Yang pseudopotential (HYP), in which the interatomic interaction is characterized by the scattering length aaa. Furthermore, when the scattering length is dependent on the kinetic energy \ensuremathεr{\ensuremath{\varepsilon}}_{\mathrm{r}}\ensuremathεr​ of two-atom relative motion, i.e., a=a(\ensuremathεr)a=a({\ensuremath{\varepsilon}}_{\mathrm{r}})a=a(\ensuremathεr​), the results are applicable for a broad energy region. However, when the free Hamiltonian of atomic internal state (e.g., the Zeeman Hamiltonian) does not commute with the interatomic interaction, or the center-of-mass (c.m.) motion is coupled to the relative motion, the generalization of this technique is still lacking. In this work we solve this problem and construct a reasonable energy-dependent multichannel HYP, which is characterized by a ``scattering length operator'' a\ifmmode^\elseˆ\fieff{\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{a}}_{\mathrm{eff}}a\ifmmode^\elseˆ\fieff​, for the above complicated cases. Here, a\ifmmode^\elseˆ\fieff{\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{a}}_{\mathrm{eff}}a\ifmmode^\elseˆ\fieff​ is an operator for atomic internal states and c.m. motion, and depends on both the total two-atom energy and the external field as well as the trapping parameter. The effects from the internal-state or c.m.-relative motion coupling can be self-consistently taken into account by a\ifmmode^\elseˆ\fieff{\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{a}}_{\mathrm{eff}}a\ifmmode^\elseˆ\fieff​. We further show a method based on the quantum defect theory, with which a\ifmmode^\elseˆ\fieff{\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{a}}_{\mathrm{eff}}a\ifmmode^\elseˆ\fieff​ can be analytically derived for systems with van der Waals interatomic interaction. To demonstrate our method, we calculate the spectrum of two ultracold fermionic alkaline-earth-like atoms [in electronic 1S0^{1}S_{0}1S0​ (∣g\ensuremath⟩)(|g\ensuremath{\rangle})(∣g\ensuremath⟩) and 3P0^{3}P_{0}3P0​ (∣e\ensuremath⟩)(|e\ensuremath{\rangle})(∣e\ensuremath⟩) states, respectively] confined in an optical lattice. By comparing our results with the recent experimental measurements for two 173Yb^{173}\mathrm{Yb}173Yb atoms and two 171Yb^{171}\mathrm{Yb}171Yb atoms, we calibrate the scattering lengths a\ifmmode±\else\textpm\fi{a}_{\ifmmode\pm\else\textpm\fi{}}a\ifmmode±\else\textpm\fi​ with respect to antisymmetric and symmetric nuclear-spin states to be a+=2012(19)a0{a}_{+}=2012(19){a}_{0}a+​=2012(19)a0​ and a\ensuremath−=193(4)a0{a}_{\ensuremath{-}}=193(4){a}_{0}a\ensuremath−​=193(4)a0​ for 173Yb^{173}\mathrm{Yb}173Yb, and a+=232(3)a0{a}_{+}=232(3){a}_{0}a+​=232(3)a0​ and a\ensuremath−=372(1)a0{a}_{\ensuremath{-}}=372(1){a}_{0}a\ensuremath−​=372(1)a0​ for 171Yb^{171}\mathrm{Yb}171Yb.
We derive an analytical expression for the scattering amplitude of two ultracold atoms of arbitrary spin and with general spin-orbit (SO) coupling, on the basis of our recent work [Phys. Rev. A 86, 053608 (2012)]. As an application, we demonstrate that SO coupling can induce scattering resonance in the case with finite scattering length. The same approach can be applied to calculate the two-body bound state of SO-coupled ultracold atoms. For the ultracold spin-1/21/21/2 Fermi gases in three- or two- dimensional systems with SO coupling, we also obtain the renormalization relation of effective contact interaction with momentum cutoff, as well as the applicability of Huang-Yang pseudopotential.
Ultracold atomic gases have been of great theoretical and experimental interest in the last two decades. In these systems, the de Broglie wavelength of the particles is much greater than the two body van der Waals length. As a result, the details of the two body interaction potential are irrelevant for a large number of applications and the realistic two body interaction potential can be replaced by a simple finite range or zero range model potential that reproduces the scattering quantities of the full interaction potential. This thesis develops zero range pseudopotentials and applies them to trapped two-particle systems. Ultracold gases loaded into optical lattices can be used to realize two particle systems under approximately harmonic confinement. We use pseudopotentials to obtain the eigenspectrum of two particles under external harmonic confinement semi-analytically. Advancements in trapping technology have resulted in the realization of low dimensional systems. We develop pseudopotentials to treat two body interactions in one and two dimensions. We also elaborate on the physics that is unique to one and two dimensional systems. Feshbach resonances allow for the tunability of the effective two body interaction strength in the presence of a magnetic field. To model Feshbach resonances in two and three dimensions we develop coupled two channel zero range potentials. Dipole-dipole interactions in Chromium and polar molecules have been the subject of a lot of recent research. Unlike the interactions between two alkali atoms, these interactions are long range and anisotropic. We explore the scattering properties of two aligned dipoles using a simple shape dependent model potential. To understand a system two aligned dipoles under confinement, we develop a pseudopotential treatment for cylindrically symmetric interaction potentials under cylindrically symmetric harmonic confinement. This pseudopotential can be used to model any cylindrically symmetric interaction potential. Our zero range treatment describes many features of two aligned dipoles under spherically symmetric harmonic confinement accurately but breaks down when applied to two aligned dipoles under cylindrically symmetric harmonic confinement. The breakdown is unique to the long range nature of the dipole-dipole interaction and expected to be absent for short range interactions.
In this undergraduate thesis, we discuss the two-body quantum mechanical problem of two ultra- cold bosonic atoms at low energy limit, interacting through a square potential with and without an external confinement. The two-body s-wave scattering length is introduced in terms of the radial wavefunction. In free space with no confinement, the interaction-scattering length relation is calculated and compared in 3- and 1-dimensions; we show the recurring resonance regions where the scattering length diverges and the existence of dimer bound state with positively large scattering length. Lastly, in the case of a 3-dimensional isotropic harmonic confinement, again under the ultracold limit, we obtain the universal (s-state) energy spectrum of the two atoms in terms of the scattering length.
1. Highlight “short-ranged,” “dilute,” and “low-energy” as three main features of interactions between ultracold atoms. 2. Introduce the important concept of the phase shift. 3. Introduce the sss-wave scattering length as a universal parameter describing the low-energy interaction between ultracold atoms. 4. Discuss the relation between divergent scattering length, low-energy bound state, and jump of phase shift. 5. Discuss the relation between the scattering length and the scattering amplitude. 6. Discuss under what condition a positive scattering length describes repulsive interaction. 7. Discuss the condition when an algebraically decayed potential can be treated as a finite range one. 8. Introduce two types of zero-range single-channel potentials to capture the universal low-energy sss-wave interaction between ultracold atoms. 9. Introduce the concept of renormalization condition and renormalizable theory. 10. Discuss how the spin rotational symmetry imposes constraints on interaction form for both alkali-metal and alkaline-earth-metal atoms. 11. Introduce Feshbach resonance as an important tool to tune scattering length. 12. Compare the two-channel Feshbach resonance with the single-channel shape resonance and compare the wide and the narrow resonances. 13. Introduce a zero-range two-channel model. 14. Introduce the confinement-induced resonance to tune interaction strength by an external potential. 15. Summarize three key conditions for a Feshbach resonance, and unify the optical Feshbach resonance, the orbital Feshbach resonance, and the confinement-induced resonance all in terms of these three conditions. 16. Introduce the Efimov effect as an important three-body effect at the vicinity of the two-body scattering resonance. 17. Highlight the symmetry aspect of the Efimov effect. 18. Discuss various connections between few-body and many-body physics. 19. Illustrate that few-body calculation can be used to determine properties of many-body systems by using high-temperature expansion as an example.
We calculate the renormalized effective two-, three- and four-body interactions for N neutral ultracold bosons in the ground state of an isotropic harmonic trap, assuming two-body interactions modeled with the combination of a zero-range and energy-dependent pseudopotential. We work to third-order in the scattering length a t (0) defined at zero collision energy, which is necessary to obtain both the leading-order effective four-body interaction and consistently include corrections for realistic two-body interactions. The leading-order, effective three- and four-body interaction energies are and , where ω and σ ( ω ) are the harmonic oscillator frequency and length, respectively, and energies are in units of ℏ ω . The one-standard deviation error ±0.0001 for the third-order coefficient in U 3 ( ω ) is due to numerical uncertainty in estimating a slowly converging sum; the other two coefficients are either analytically or numerically exact. The effective three- and four-body interactions can play an important role in the dynamics of tightly confined and strongly correlated systems. We also performed numerical simulations for a finite-range (FR) boson–boson potential, and it was comparison to the zero-range predictions which revealed that finite-range effects must be taken into account for a realistic third-order treatment. In particular, we show that the energy-dependent pseudopotential accurately captures, through third order, the finite-range physics, and in combination with the multi-body effective interactions gives excellent agreement with the numerical simulations, validating our theoretical analysis and predictions.
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.