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Register a new userStereochemical properties of the OH molecule in combined electric and magnetic fields: analytic results
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Added by
Mishkat Bhattacharya
Publication date
2015
fields
Physics
and research's language is
English
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The stereochemical properties of the ultracold ground state OH molecule in the presence of electric and magnetic fields are currently of considerable interest. For example, relevant quantities such as molecular alignment and orientation, calculated numerically by using large basis sets, have lately appeared in the literature. In this work, based on our recent exact solution to an effective eight-dimensional matrix Hamiltonian for the molecular ground state, we present analytic expressions for the stereochemical properties of OH. Our results require the solution of algebraic equations only, agree well with the aforementioned fully numerical calculations, provide compact expressions for simple field geometries, allow ready access to relatively unexplored parameter space, and yield straightforwardly higher moments of the molecular axis distribution.
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The OH molecule is currently of great interest from the perspective of ultracold chemistry, quantum fluids, precision measurement and quantum computation. Crucial to these applications are the slowing, guiding, confinement and state control of OH, using electric and magnetic fields. In this article, we show that the corresponding eight-dimensional effective ground state Stark-Zeeman Hamiltonian is exactly solvable and explicitly identify the underlying chiral symmetry. Our analytical solution opens the way to insightful characterization of the magnetoelectrostatic manipulation of ground state OH. Based on our results, we also discuss a possible application to the quantum simulation of an imbalanced Ising magnet.
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. We show that electric fields can be used to manipulate Feshbach resonances in collisions of cold molecules. Our results can be verified in experiments with OH molecules in Stark decelerated molecular beams and electromagnetic traps.
Highly accurate variational calculations, based on a few-parameter, physically adequate trial function, are carried out for the hydrogen molecule hh in inclined configuration, where the molecular axis forms an angle $theta$ with respect to the direction of a uniform constant magnetic field ${bf B}$, for $B=0,, 0.1,, 0.175$ and $0.2,$a.u. Three inclinations $theta=0^circ,,45^circ,,90^circ$ are studied in detail with emphasis to the ground state $1_g$. Diamagnetic and paramagnetic susceptibilities are calculated (for $theta=45^circ$ for the first time), they are in agreement with the experimental data and with other calculations. For $B=0,, 0.1$ and $0.2,$a.u. potential energy curves $E$ vs $R$ are built for each inclination, they are interpolated by simple, two-point Pade approximant $Pade[2/6](R)$ with accuracy of not less than 4 significant digits. Spectra of rovibrational states are calculated for the first time. It was found that the optimal configuration of the ground state for $B leq B_{cr}=0.178,$a.u. corresponds always to the parallel configuration, $theta=0$, thus, it is a $^1Sigma_g$ state. The state $1_g$ remains bound for any magnetic field, becoming metastable for $B > B_{cr}$, while for $B_{cr} < B < 12$,a.u. the ground state corresponds to two isolated hydrogen atoms with parallel spins.
Photodissociation of a molecule produces a spatial distribution of photofragments determined by the molecular structure and the characteristics of the dissociating light. Performing this basic chemical reaction at ultracold temperatures allows its quantum mechanical features to dominate. In this regime, weak applied fields can be used to control the reaction. Here, we photodissociate ultracold diatomic strontium in magnetic fields below 10 G and observe striking changes in photofragment angular distributions. The observations are in excellent qualitative agreement with a multichannel quantum chemistry model that includes nonadiabatic effects and predicts strong mixing of partial waves in the photofragment energy continuum. The experiment is enabled by precise quantum-state control of the molecules.
We present an accurate quantum mechanical study of molecule-molecule collisions in the presence of a magnetic field. The work focusses on the analysis of elastic scattering and spin relaxation in collisions of O2(3Sigma_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 x 10^{-11} cm3/s. 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.
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