相关论文: Full-dimensional quantum scattering calculations o…
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…
Accurate rate coefficients for molecular vibrational transitions due to collisions with H$_2$, critical for interpreting infrared astronomical observations, are lacking for most molecules. Quantum calculations are the primary source of such…
It is shown that the atom-molecule collision problem in the presence of an external electric field can be solved using the total angular momentum representation in the body-fixed coordinated frame, leading to a computationally efficient…
We have generalized the BOUND and MOLSCAT packages to allow calculations in basis sets where the monomer Hamiltonians are off-diagonal and used the new capability to carry out bound-state and scattering calculations on 3He-NH and 4He-NH as…
We report numerically exact quantum scattering calculations on magnetic Feshbach resonances in ultracold, strongly anisotropic atom-molecule [Rb($^2$S) + SrF($^2\Sigma^+$)] collisions based on state-of-the-art ab initio potential energy…
Full-dimensional quantum scattering calculations are reported for ro-vibrational transitions in HD+HD collisions using a highly accurate interaction potential for the H$_2$-H$_2$ system. Several near-resonant ro-vibrational transitions are…
We investigate the presence of Feshbach resonances in ultracold alkali-dialkali reactive collisions. Quantum scattering calculations are performed on a new Na_3 quartet potential energy surface. An analysis of scattering features is…
Controlling interactions between cold molecules using external fields can elucidate the role of quantum mechanics in molecular collisions. We create a new experimental platform in which ultracold rubidium atoms and cold ammonia molecules…
We describe a new implementation of magnetic collider for investigating cold collisions between ultracold atomic clouds in different spin states, and we use this to investigate scattering involving both even and odd order partial waves. Our…
Anisotropy is a fundamental property of particle interactions. It occupies a central role in cold and ultra-cold molecular processes, where long range forces have been found to significantly depend on orientation in ultra-cold polar…
Quantum scattering calculations for strongly interacting molecular systems are computationally demanding due to the large number of molecular states coupled by the anisotropy of atom - molecule interactions. We demonstrate that thermal rate…
Currently, quantum scattering calculations cannot be used for quantitative predictions of molecular scattering observables at ultralow temperatures. This is a result of two problems: the extreme sensitivity of the scattering observables to…
We present an efficient method for rigorous quantum calculations of cross sections for atom-molecule reactive scattering in the presence of a dc electric field. The wavefunction of the reaction complex is expanded in an overcomplete set of…
We calculate the interaction potential between N atoms and NH molecules and use it to investigate cold and ultracold collisions important for sympathetic cooling. The ratio of elastic to inelastic cross sections is large over a wide range…
We develop a rigorous quantum mechanical theory for collisions of polyatomic molecular radicals with S-state atoms in the presence of an external magnetic field. The theory is based on a fully uncoupled space-fixed basis set representation…
We use numerically exact quantum dynamics calculations to demonstrate universal stereoselectivity of cold collisions of $^2\Pi$ molecules with $^1$S-state atoms in an external electric field. We show that cold collisions of OH molecules in…
A scattering resonance is one of the most striking quantum effects in low-temperature molecular collisions. Predicted decades ago theoretically, they have only been resolved experimentally for systems involving at most four atoms. Extension…
We show that the cross sections for molecule - molecule collisions in the presence of an external field can be computed efficiently using a total angular momentum basis, defined either in the body-fixed frame or in the space-fixed…
We study ultracold atom-ion collisions in the presence of an external magnetic field. At low collision energy the field can drastically modify the translational motion of the ion, which follows quantized cyclotron orbits. We present a…
We have carried out bound-state and low-energy quantum scattering calculations on He + NH (triplet Sigma) in magnetic fields, with the NH molecule in its n=1 rotationally excited states. We have explored the pattern of levels as a function…