Formation of molecular oxygen in ultracold O + OH reaction

We discuss the formation of molecular oxygen in ultracold collisions between hydroxyl radicals and atomic oxygen. A time-independent quantum formalism based on hyperspherical coordinates is employed for the calculations. Elastic, inelastic and reactive cross sections as well as the vibrational and rotational populations of the product O2 molecules are reported. A J-shifting approximation is used to compute the rate coefficients. At temperatures T = 10 - 100 mK for which the OH molecules have been cooled and trapped experimentally, the elastic and reactive rate coefficients are of comparable magnitude, while at colder temperatures, T < 1 mK, the formation of molecular oxygen becomes the dominant pathway. The validity of a classical capture model to describe cold collisions of OH and O is also discussed. While very good agreement is found between classical and quantum results at T=0.3 K, at higher temperatures, the quantum calculations predict a larger rate coefficient than the classical model, in agreement with experimental data for the O + OH reaction. The zero-temperature limiting value of the rate coefficient is predicted to be about 6.10^{-12} cm^3 molecule^{-1} s^{-1}, a value comparable to that of barrierless alkali-metal atom - dimer systems and about a factor of five larger than that of the tunneling dominated F + H2 reaction.Comment: 9 pages, 8 figure

Dynamics of ultracold dipolar particles in a confined geometry and tilted fields

We develop a collisional formalism adapted for the dynamics of ultracold dipolar particles in a confined geometry and in fields tilted relative to the confinement axis. Using tesseral harmonics instead of the usual spherical harmonics to expand the scattering wavefunction, we recover a good quantum number $\xi = \pm 1$ which is conserved during the collision. We derive the general expression of the dipole-dipole interaction in this convenient basis set as a function of the polar and azimuthal angles of the fields. We apply the formalism to the collision of fermionic and bosonic polar KRb molecules in a tilted electric field and in a one-dimensional optical lattice. The presence of a tilted field drastically changes the magnitude of the reactive and inelastic rates as well as the inelastic threshold properties at vanishing collision energies. Setting an appropriate strength of the confinement for the fermionic system, we show that the ultracold particles can even further reduce their kinetic energy by inelastic excitation to higher states of the confinement trap.Comment: 13 page

Electric field suppression of ultracold confined chemical rates

We consider ultracold collisions of polar molecules confined in a one dimensional optical lattice. Using a quantum scattering formalism and a frame transformation method, we calculate elastic and chemical quenching rate constants for fermionic molecules. Taking KRb molecules as a prototype, we find that the rate of quenching collisions is enhanced at zero electric field as the confinement is increased, but that this rate is suppressed when the electric field is turned on. For molecules with 500 nK of collision energy, for realistic molecular densities, and for achievable experimental electric fields and trap confinements, we predict lifetimes of KRb molecules of 1 s. We find a ratio of elastic to quenching collision rates of about 100, which may be sufficient to achieve efficient experimental evaporative cooling of polar KRb molecules.Comment: 4 pages, 3 figure

Dynamics of ultracold molecules in confined geometry and electric field

We present a time-independent quantum formalism to describe the dynamics of molecules with permanent electric dipole moments in a two-dimensional confined geometry such as a one-dimensional optical lattice, in the presence of an electric field. Bose/Fermi statistics and selection rules play a crucial role in the dynamics. As examples, we compare the dynamics of confined fermionic and bosonic polar KRb molecules under different confinements and electric fields. We show how chemical reactions can be suppressed, either by a "statistical suppression" which applies for fermions at small electric fields and confinements, or by a "potential energy suppression", which applies for both fermions and bosons at high electric fields and confinements. We also explore collisions that transfer molecules from one state of the confining potential to another. Although these collisions can be significant, we show that they do not play a role in the loss of the total number of molecules in the gas.Comment: 13 pages, 6 figure

Unified model of ultracold molecular collisions

A scattering model is developed for ultracold molecular collisions, which allows inelastic processes, chemical reactions, and complex formation to be treated in a unified way. All these scattering processes and various combinations of them are possible in ultracold molecular gases, and as such this model will allow the rigorous parametrization of experimental results. In addition we show how, once extracted, these parameters can be related to the physical properties of the system, shedding light on fundamental aspects of molecular collision dynamics.Comment: 16 Pages, 5 Figure