相关论文: Restricted basis set coupled-channel calculations …
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…
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…
Rigorous quantum scattering calculations on ultracold molecular collisions in external fields present an outstanding computational problem due to strongly anisotropic atom-molecule interactions that depend on the relative orientation of the…
We investigate the behaviour of single-channel theoretical models of cold and ultracold collisions that take account of inelastic and reactive processes using a single parameter to represent short-range loss. We present plots of the…
We develop an analytic model of thermal state-to-state rotationally inelastic collisions of asymmetric-top molecules with closed-shell atoms in electric fields, and apply it to the Ar--H$_2$O collision system. The predicted cross sections…
In molecular collisions, resonances occur at specific energies where the colliding particles temporarily form quasi-bound complexes, resulting in rapid variations in the energy dependence of scattering cross sections. Experimentally, it has…
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…
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 quartet potential energy surface for Li+NH and use it to calculate elastic and spin-relaxation cross sections for collisions in magnetically trappable spin-stretched states. The potential is strongly anisotropic but…
Inelastic low-energy (0--1 eV) collisions of electrons with HeH$^+$ cations are treated theoretically, with a focus on the rovibrational excitation and dissociative recombination (DR) channels. In an application of {\it ab initio}…
The experimental characterization of scattering resonances in low energy collisions has proven to be a stringent test for quantum chemistry calculations. Previous measurements on the NO-H$_2$ system at energies down to $10$ cm$^{-1}$…
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…
Electronic structure calculations on small systems such as H$_2$, H$_2$O, LiH, and BeH$_2$ with chemical accuracy are still a challenge for the current generation of the noisy intermediate-scale quantum (NISQ) devices. One of the reasons is…
We use a full coupled channels method to calculate collisional properties of magnetically or optically trapped ultracold 6Li. The magnetic field dependence of the s-wave scattering lengths of several mixtures of hyperfine states are…
Whereas atom-molecule collisions have been studied with complete quantum state resolution, interactions between two state-selected molecules have proven much harder to probe. Here, we report the measurement of state-resolved inelastic…
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…
The best 3-channel projectile-inelastic [H(1s)+Ps(1s,2s,2p)] close-coupling approximation (CCA) is performed for positronium (Ps) and hydrogen (H) collision considering both the atoms in ground states at the incident channel. The s-wave…
We present a treatment of cold hydrogen-antihydrogen collisions based on the asymptotic properties of atom-antiatom interactions. We derive general formulas for the elastic and inelastic cross sections and for the scattering lengths and…
The effects of hyperfine structure on ultracold molecular collisions in external fields are largely unexplored due to major computational challenges associated with rapidly proliferating hyperfine and rotational channels coupled by highly…
The quark model has proven successful in describing the basic building blocks of strongly interacting particles in the Standard Model, where hadronic states consist of quarks and gluons. At the same time, Lattice QCD predicts the…