相关论文: Restricted basis set coupled-channel calculations …

We use accurate ab initio and quantum scattering calculations to explore the prospects for sympathetic cooling of the heavy molecular radical SrOH($^2\Sigma$) by ultracold Li atoms in a magnetic trap. A two-dimensional potential energy…

At low energies, the quantum wave-like nature of molecular interactions result in unique scattering behavior, ranging from the universal Wigner laws near zero Kelvin to the occurrence of scattering resonances at higher energies. It has…

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…

Molecule-optimized basis sets, based on approximate natural orbitals, are developed for accelerating the convergence of quantum calculations with strongly correlated (multi-referenced) electrons. We use a low-cost approximate solution of…

We theoretically study slow collisions of NH$_3$ molecules with He atoms, where we focus in particular on the observation of scattering resonances. We calculate state-to-state integral and differential cross sections for collision energies…

The structure of the low-lying rotational levels of the X$^+$ $ ^2 \Sigma_g ^+$ ($v^+=0$) vibronic ground state of para-H$_2^+$ has been determined by combining frequency-comb calibrated continuous-wave high-resolution laser spectroscopy of…

We carry out quantum inelastic scattering calculations of collisions of Rb atoms with inverting NH3 and ND3 molecules in the energy range between 0 and 100 cm-1, which are important for experiments using velocity-controlled molecular beams…

Tunable scattering resonances are crucial for controlling atomic and molecular systems. However, their use has so far been limited to ultracold temperatures. These conditions remain hard to achieve for most hybrid trapped ion-atom systems…

Precision measurements at electron-positron colliders provide stringent tests of the Standard Model and powerful probes of possible higher-dimensional interactions. We present a hybrid quantum-classical framework for computing leading-order…

We prepare mixtures of ultracold CaF molecules and Rb atoms in a magnetic trap and study their inelastic collisions. When the atoms are prepared in the spin-stretched state and the molecules in the spin-stretched component of the first…

We explore the suitability of ultracold collisions between spin-polarized SrF($^2\Sigma^+$) molecules and Rb($^2$S) atoms as elementary steps for the sympathetic cooling of SrF($^2\Sigma^+$) molecules in a magnetic trap. To this end, we…

In light of its ubiquitous presence in the interstellar gas, the chemistry and reactivity of the HCO+ ion requires special attention. The availability of up-to-date collisional data between this ion and the most abundant perturbing species…

Multichannel quantum defect theory (MQDT) provides a powerful toolkit for describing and understanding collisions of cold alkali atoms. Various MQDT approximations differ primarily in how they characterize the so-called short-ranged…

We calculate near-threshold bound states and Feshbach resonance positions for atom + rigid-rotor models of the highly anisotropic systems Li+CaH and Li+CaF. We perform statistical analysis on the resonance positions to compare with the…

The influence of dispersion on the differential scattering cross section in the vicinity of the first diffraction minimum is revisited for collision energies between 200 and 450 MeV. Transient nuclear excitations in the giant resonance…

We present fully numerical electronic structure calculations on diatomic molecules exposed to an external magnetic field at the unrestricted Hartree-Fock limit, using a modified version of a recently developed finite element program,…

We present an experimental study on the rotational inelastic scattering of OH ($X^2\Pi_{3/2}, J=3/2, f$) radicals with He and D$_2$ at collision energies between 100 and 500 cm$^{-1}$ in a crossed beam experiment. The OH radicals are state…

R-matrix calculations on electron collisions with CO are reported whose aim is to identify any higher-lying resonances above the well-reported and lowest $^2\Pi$ resonance at about 1.6~eV. Extensive tests with respect to basis sets, target…

We calculate the cross sections for elastic scattering and Zeeman relaxation in binary collisions of molecules in the ro-vibrational ground state of a $^2\Sigma$ electronic state and the Zeeman state with the electron spin projection…

In the earliest stages of evaluating new collider data, especially if a small excess may be present, it would be useful to have a method for comparing the data with entire classes of models, to get an immediate sense of which classes could…