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arXiv:0811.4018 · Faraday Discussions

Dynamics of OH(2Π)–He collisions in combined electric and magnetic fields

Timur V. Tscherbul, Gerrit C. Groenenboom, Roman V. Krems, A. Dalgarno

Published Jan 1, 2009• 28 citations
arXivHTMLPDF

Abstract

We use accurate quantum mechanical calculations to analyze the effects of parallel electric and magnetic fields on collision dynamics of OH(2pi) molecules. It is demonstrated that spin relaxation in 3He-OH collisions at temperatures below 0.01 K can be effectively suppressed by moderate electric fields of order 10 kV cm(-1). We show that electric fields can be used to manipulate Feshbach resonances in collisions of cold molecules. Our theoretical results can be tested in experiments with OH molecules in Stark decelerated molecular beams and electromagnetic traps. PACS numbers: 33.20.-t, 33.80.Ps.

DOI
10.1039/b819198k

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We use accurate quantum mechanical calculations to analyze the effects of parallel electric and magnetic fields on collision dynamics of OH(2pi) molecules. It is demonstrated that spin relaxation in 3He-OH collisions at temperatures below 0.01 K can be effectively suppressed by moderate electric fields of order 10 kV cm(-1). We show that electric fields can be used to manipulate Feshbach resonances in collisions of cold molecules. Our theoretical results can be tested in experiments with OH molecules in Stark decelerated molecular beams and electromagnetic traps. PACS numbers: 33.20.-t, 33.80.Ps.
We present a rigorous study of cold and ultracold collisions of $\mathrm{Yb}\mathrm{F}(^{2}\ensuremath{\Sigma})$ molecules with He atoms in external electric and magnetic fields based on an accurate calculation of the interaction potential surface and quantum theory of atom-molecule scattering. We analyze the mechanisms of collisional depolarization of the electron and nuclear spins of YbF and demonstrate that the rate constants for elastic and inelastic collisions of YbF with He are sensitive to the magnitudes of the applied fields. Collisions of heavy polar molecules like YbF may thus be easily manipulated with external electromagnetic fields. We show that collisional spin relaxation of YbF molecules in rotationally excited states is suppressed by electric fields much more significantly than the spin relaxation in the ground rotational state. We explain this by the influence of electric-field-induced Feshbach resonances, which occur at much lower collision energies when the molecule is rotationally excited. Our results suggest that heavy polar molecules may be amenable to magnetic trapping in a buffer gas of He, which could greatly enhance the sensitivity of spectroscopic experiments to measure the electric dipole moment of the electron.
Research in the field of cold polar molecules is progressing rapidly. An array of interesting\ntopics is being developed including precision measurement and fundamental tests, quantum phase transitions, and ultracold chemistry. In particular, dipolar molecules in well-defined quantum states enable exquisite control of their interactions via applied electric fields. The long-range, anisotropic interaction between dipolar molecules leads to new collision dynamics that could be used for novel collective effects, quantum state engineering, and information processing. The focus of this Thesis is the production of cold samples of neutral OH molecules via Stark deceleration and magnetic trapping for novel collision experiments. This novelty results from our combination of cold external beams and trapped target molecules which facilitates observation of dipolar effects as well as low temperature collision resonances. The large permanent electric dipole moment of OH allows us to precisely tune the lab-frame velocity of the molecular packets from ∼ 500 m/s to rest. We have magnetically trapped OH packets at the terminus of our Stark decelerator at a temperature of 70 mK and density of 106 cm−3. With improved understanding of Stark deceleration, we optimize the decelerator efficiency and its coupling to the magnetic trap. Our latest trap design uses permanent ring magnets to create a three-dimensional magnetic quadrupole field. Use of magnetically trapped OH molecules for collision experiments with external beams allow us the unique opportunity of observing both elastic and inelastic collisions. In addition, the trap confinement yields sensitivity to differential elastic cross sections at low collision energies. This open magnetic trap has allowed measurement of collision cross sections between trapped OH and external supersonic beams of He and D2, the latter of which is of astrophysical interest due to the role of H2-OH collisions in pumping interstellar OH megamasers. The combination of trapped OH molecules and temperature tuned beams of He and D2 has facilitated measurement of the lowest-energy D2-OH collision cross sections yet reported. More recently, we report the first observation of electric-field dependent cross sections between two different species of cold polar molecules - OH and ND3 - thereby demonstrating control over molecular scattering in the cold regime. By combining for the first time the production techniques of Stark deceleration and buffer gas cooling, we increase the molecular interaction time by∼ 105 over traditional crossed-beam experiments to gain enhanced sensitivity at the characteristic densities of cold molecule production.
We consider collisions of electric and magnetic polar molecules, taking the OH radical as an example, subject to combined electric and magnetic static fields. We show that the relative orientation of the fields has an important effect on the collision processes for different fields' magnitudes at different collision energies. This is due to the way the molecules polarize in the combined electric and magnetic fields and hence the way the electric dipole-dipole interaction rises. If OH molecules are confined in magnetic quadrupole traps and if an electric field is applied, molecular collisions will strongly depend on the position as well as the velocity of the molecules. Consequences on the molecular dynamics are discussed.
We present an accurate quantum mechanical study of molecule–molecule collisions in the presence of a magnetic field. The work focuses on the analysis of elastic scattering and spin relaxation in collisions of O 2 ( 3 Σ g – ) molecules at cold (∼0.1 K) and ultracold (∼10 –6 K) temperatures. Our calculations show that magnetic spin relaxation in molecule–molecule collisions is extremely efficient except at magnetic fields below 1 mT. The rate constant for spin relaxation at T =0.1 K and a magnetic field of 0.1 T is found to be as large as 6.1 × 10 –11 cm –3 s –1 . The magnetic field dependence of elastic and inelastic scattering cross sections at ultracold temperatures is dominated by a manifold of Feshbach resonances with the density of ∼100 resonances per Tesla for collisions of molecules in the absolute ground state. This suggests that the scattering length of ultracold molecules in the absolute ground state can be effectively tuned in a very wide range of magnetic fields. Our calculations demonstrate that the number and properties of the magnetic Feshbach resonances are dramatically different for molecules in the absolute ground and excited spin states. The density of Feshbach resonances for molecule–molecule scattering in the low-field-seeking Zeeman state is reduced by a factor of 10.
We present a theoretical study of molecular-trap loss induced by collisions with slow atomic beams based on an explicit analysis of collision kinematics in the laboratory frame and a rigorous quantum description of atom-molecule scattering in external fields. The theory is applied to elucidate the effects of nonuniform magnetic and optical trapping fields on low-temperature collisions of OH (J=3/2,MJ=3/2,fJ=3/2,{M}_{J}=3/2,fJ=3/2,MJ​=3/2,f) molecules with 4He^{4}\mathrm{He}4He atoms. Our calculations quantify the extent to which both elastic and inelastic cross sections are suppressed by external trapping fields, clarify the role of small-angle scattering in trap loss, and may benefit future experiments on collisional cooling of molecules in electromagnetic traps. The calculated cross sections for trap loss in 4He^{4}\mathrm{He}4He +++ OH collisions are consistent with recent experimental observations at low beam energies [B. C. Sawyer et al., Phys. Rev. Lett. 101, 203203 (2008)], demonstrating the importance of including the effects of nonuniform trapping fields in theoretical simulations of cold collision experiments with trapped molecules and slow atomic beams.
Cold molecules promise to reveal a rich set of novel collision dynamics in the low-energy regime. By combining for the first time the techniques of Stark deceleration, magnetic trapping, and cryogenic buffer gas cooling, we present the first experimental observation of cold collisions between two different species of state-selected neutral polar molecules. This has enabled an absolute measurement of the total trap loss cross sections between OH and ND(3) at a mean collision energy of 3.6 cm(-1) (5 K). Due to the dipolar interaction, the total cross section increases upon application of an external polarizing electric field. Cross sections computed from ab initio potential energy surfaces are in agreement with the measured value at zero external electric field. The theory presented here represents the first such analysis of collisions between a (2)Π radical and a closed-shell polyatomic molecule.