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Quantum theory of complex ultracold collisions

Matthew D. Frye

Published Jan 1, 2017• 0 citations
OpenAlex

Abstract

This thesis reports on a variety of calculations on cold and ultracold scattering, with a broad theme of how best to consider and understand complex systems in simple ways. Firstly, we investigate quantum defect theory. We demonstrate that it is not only an excellent model for simple systems, but can also provide simple predictions of the \emph{range} of possible behaviours for complex systems, in particular for a model of collisional losses. These predictions agree well with expensive coupled-channels calculations in cases where the full calculations also predict only the range of possible behaviours. Secondly, we consider effects relating to thermalisation of cold and ultracold gases. We show that considering the correct transport cross section, $\sigma_\eta^{(1)}$, is important for determination of scattering lengths and their signs by interspecies thermalisation. This cross section is also important to the understanding of high-quality simulations of sympathetic cooling in a microwave trap, which suggest Rb is likely to be a good coolant for CaF. We also correct an error in the interpretation of previous results for sympathetic cooling in a magnetic trap, showing this may work from over 100 mK for Li+CaF and many Kelvin when using atomic hydrogen as a coolant. Thirdly, we study quantum chaos in ultracold collisions. We find very clear and strong signs of chaos in Li+CaH. We also show that a more strongly coupled system, Li+CaF, is \emph{not} fully chaotic and that there is unexpected structure in the levels of chaos as the CaF rotational constant is varied. We also show that signatures of chaos can emerge in a very simple atom-atom system, Yb(${}^1S_0$)+Yb(${}^3P_2$), which interacts on only two Born-Oppenheimer potentials. Finally, we examine the idea that metastable states in 2-body scattering greatly enhance 3-body recombination at ultracold temperatures. We attempt to put it on a more rigorous theoretical grounding by considering Smith's collision lifetime and related quantities, but those are shown to lack clear interpretations in the ultracold regime. We therefore consider 3-body scattering theory and arrive at some general conclusions about how we expect such 2-body features to appear in 3-body scattering and suggest possible ways forward.

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This thesis reports on a variety of calculations on cold and ultracold scattering, with a broad theme of how best to consider and understand complex systems in simple ways. Firstly, we investigate quantum defect theory. We demonstrate that it is not only an excellent model for simple systems, but can also provide simple predictions of the \emph{range} of possible behaviours for complex systems, in particular for a model of collisional losses. These predictions agree well with expensive coupled-channels calculations in cases where the full calculations also predict only the range of possible behaviours. Secondly, we consider effects relating to thermalisation of cold and ultracold gases. We show that considering the correct transport cross section, ση(1)\sigma_\eta^{(1)}ση(1)​, is important for determination of scattering lengths and their signs by interspecies thermalisation. This cross section is also important to the understanding of high-quality simulations of sympathetic cooling in a microwave trap, which suggest Rb is likely to be a good coolant for CaF. We also correct an error in the interpretation of previous results for sympathetic cooling in a magnetic trap, showing this may work from over 100 mK for Li+CaF and many Kelvin when using atomic hydrogen as a coolant. Thirdly, we study quantum chaos in ultracold collisions. We find very clear and strong signs of chaos in Li+CaH. We also show that a more strongly coupled system, Li+CaF, is \emph{not} fully chaotic and that there is unexpected structure in the levels of chaos as the CaF rotational constant is varied. We also show that signatures of chaos can emerge in a very simple atom-atom system, Yb(1S0{}^1S_01S0​)+Yb(3P2{}^3P_23P2​), which interacts on only two Born-Oppenheimer potentials. Finally, we examine the idea that metastable states in 2-body scattering greatly enhance 3-body recombination at ultracold temperatures. We attempt to put it on a more rigorous theoretical grounding by considering Smith's collision lifetime and related quantities, but those are shown to lack clear interpretations in the ultracold regime. We therefore consider 3-body scattering theory and arrive at some general conclusions about how we expect such 2-body features to appear in 3-body scattering and suggest possible ways forward.
Ultracold gases have become versatile systems to study quantum many-body effects. Their high degree of control and the tunability of the atomic interactions led to important advances in the understanding of strongly correlated matter. In the regime of strong interactions, unlike fermions, the study of bosons is hampered by three-particle recombination that leads to atom losses and keeps the system from reaching a real equilibrium state. In this thesis, we have performed the first quantitative comparison between theory and experiment on the three-particle loss coefficient L_3(a,T), for arbitrary scattering length a and temperature T. For unitary two-particle scattering (|a| → ∞), we show that the three-particle loss coefficient follows the law L_3(∞, T ) = λ_3/T^2, that we have tested using a trapped non-degenerate ^{7}Li gas maintained at constant temperature. The measured value of λ_3 = 2.5(3)_{stat}(6)_{cyst} × 10^{−20}(μK)^2cm^6s^{−1} is, within the error bars in good agreement with the theory prediction λ_3^{th} = 1.52 × 10^{−20}(μK)^2cm^6s^{−1}. We have extended our measurements to arbitrary values of the scattering length a. For a < 0, the theory predicts a smooth connection between the previously derived zero-temperature model for L_3(a, 0) and the unitarity limited loss coefficient L_3(∞, T ). We also show that a second Efimov resonance in 7Li should be observable near a = − 500 a0 for a temperature of 1 μK. Finally, we compare our theoretical prediction with measurements performed at Innsbruck with ^{133}Cs and at Cambridge with ^{39}K. The theory also shows remarkable quantitative agreement with these measurements.
Collision physics plays a key role in understanding the properties of ultracold gases. First, collisions ensure thermalization in trapped atomic samples, which is essential for the success of evaporative cooling. Second, interactions between atoms determine the equilibrium shape and the dynamics of the condensate once it is formed. Finally collisions limit the achievable spatial densities via inelastic processes, which ultimately determine whether a given atomic species may lead to Bose-Einstein condensation. The purpose of the following lectures is to give a basic introduction to collision physics with a special emphasis on the low temperature aspect of these interactions. We will consider here only binary interactions between atoms since one of the remarkable prop-erties of the physics of ultra-cold dilute gases is that all the macroscopic properties of the system can be directly deduced from the two-body interaction potential. In particular the essential concept of scattering length will be introduced and developped for some simple potentials, using as practical examples experimental results obtained on atomic cesium and rubidium. The present lectures are complementary to the ones given by D. Heinzen where a detailed comparison between the collisional properties of the various alkali atoms will be found, together with explanations of the spectroscopic approaches used in the precise determination of interatomic potentials. 1. – Scattering theory: a brief reminder 1.1. Collision between two particles. – We consider here an elementary collision process between two particles 1 and 2 with the same mass M, interacting through the potential
This thesis reports on calculations of the scattering properties of a variety of ultracold alkali-metal mixtures. In particular, we have calculated the scattering properties of homonuclear mixtures of 85Rb, in a variety of incoming channels, and we have calculated the properties of heteronuclear mixtures of the isotopologues of Rb and Cs, and K and Cs. In general, we are interested in the location and character of Feshbach resonances in these mixtures with a view towards ultracold molecule formation. In 85Rb there is a rich Feshbach structure and potential uses for the resonances that we find, in the scattering lengths of the various incoming channels, are discussed. In 85RbCs there is a rich Feshbach structure and the prospects for ultracold molecule formation using this system are detailed. Similarly, we detail the Feshbach resonances of 87RbCs and discuss our results in the context of the successful formation of ultracold ground-state molecules. In the isotopologues of KCs each system has a rich Feshbach structure and we detail the location and width of the resonances, as well as the potential for ultracold molecule formation using each of the isotopes of potassium. In addition to scattering calculations, we have also calculated the location and character of the highest-lying bound states of each system. We have investigated the energy dependence of the scattering length using accurate coupled-channel calculations on 6Li, 39K and 133Cs to explore the behaviour of the effective range in the vicinity of both broad and narrow Feshbach resonances. We present an alternative parametrization of the effective range and further demonstrate that an analytical form of an energy and magnetic field-dependent phase shift, based on multichannel quantum defect theory, gives accurate results for the energy-dependent scattering length. Lastly, we examine the effect of additional external fields on alkali-metal collisions and discuss how external fields can be used to manipulate the interaction properties of a system.
Ultracold collisions of cold atoms or molecules make the bound states of the collision complex formed from the two colliding species accessible for control and manipulation of the cold species or the complex. Such resonances are best treated by a resonant scattering theory, which in the ultracold domain can take advantage of the properties of the long-range potential and the methods of multichannel quantum defect theory. Coupled channels calculations on the threshold scattering states and bound states of the 40 K 87 Rb molecule illustrate the ideas and methodology of quantum defect theory using the long-range potential and also demonstrate the spin properties of the bound states throughout the spectrum. 1
There is great interest within the physics and chemistry communities in the properties of ultracold molecules. Electromagnetic fields can be used to create, trap, and modify the collisional dynamics of ultracold molecules, and thus the properties of ultracold molecules in electromagnetic fields is of growing importance. This thesis examines some of the effects of externally applied electromagnetic fields on ultracold molecules. Initially, magnetic Feshbach resonances in combined electric and magnetic fields are examined in the collisions of He(1S )+SO(3Σ−). Through detailed quantum scattering calculations, it is then shown that the sympathetic cooling of NH(3Σ−) molecules with Mg atoms has a good prospect of success, a first for a neutral molecular system. Detailed quantum scattering calculations are performed for a wide range of collision energies and magnetic field strengths and it is found that the ratio of elastic to inelastic collisions is large for temperatures below 10 mK, and increases as the collision energy and magnetic field strength decrease. The near threshold collision properties of Mg+NH have been examined using a multichannel quantum defect theory approach. A new type of conical intersection, that is a function of applied electromagnetic fields only, is also demonstrated. For states of opposite parity, brought into degeneracy with a magnetic field, the degeneracy can be resolved by the addition of an electric field, forming a conical intersection. A suitable arrangement of fields could thus be used to create a conical intersection in laboratory coordinates within an ultracold trapped gas. For a BoseEinstein condensate, in the mean-field approximation, the resultant geometric phase effect induces stable states of persistent superfluid flow that are characterized by half-integer quantized angular momentum.
There is great interest within the physics and chemistry communities in the properties of ultracold molecules. Electromagnetic fields can be used to create, trap, and modify the collisional dynamics of ultracold molecules, and thus the properties of ultracold molecules in electromagnetic fields is of growing importance. This thesis examines some of the effects of externally applied electromagnetic fields on ultracold molecules. Initially, magnetic Feshbach resonances in combined electric and magnetic fields are examined in the collisions of He(1S^1S1S)+SO(3Σ−^3\Sigma^-3Σ−). Through detailed quantum scattering calculations, it is then shown that the sympathetic cooling of NH(3Σ−^3\Sigma^-3Σ−) molecules with Mg atoms has a good prospect of success, a first for a neutral molecular system. Detailed quantum scattering calculations are performed for a wide range of collision energies and magnetic field strengths and it is found that the ratio of elastic to inelastic collisions is large for temperatures below 10 mK, and increases as the collision energy and magnetic field strength decrease. The near threshold collision properties of Mg+NH have been examined using a multichannel quantum defect theory approach. A new type of conical intersection, that is a function of applied electromagnetic fields only, is also demonstrated. For states of opposite parity, brought into degeneracy with a magnetic field, the degeneracy can be resolved by the addition of an electric field, forming a conical intersection. A suitable arrangement of fields could thus be used to create a conical intersection in laboratory coordinates within an ultracold trapped gas. For a Bose-Einstein condensate, in the mean-field approximation, the resultant geometric phase effect induces stable states of persistent superfluid flow that are characterized by half-integer quantized angular momentum.