相关论文: Full-dimensional quantum scattering calculations o…

A resonant inelastic x-ray scattering study of the electronic structure of the semiconductor cuprous oxide, $\rm Cu_2O$, is reported. When the incident x-ray energy is tuned to the Cu K-absorption edge, large enhancements of the spectral…

Hyperspherical close-coupling method is used to calculate the elastic, positronium formation and excitation cross sections for positron collisions with atomic hydrogen at energies below the H(n=4) threshold for the J=2 partial wave. The…

In this work, we investigate the existence of transition state resonances on atom-diatom reactive collisions from a time-dependent perspective, stressing the role of quantum trajectories as a tool to analyze this phenomenon. As it is shown,…

We apply the quantum-defect theory for $-1/R^4$ potential to study the resonant charge exchange process. We show that by taking advantage of the partial-wave-insensitive nature of the formulation, resonant charge exchange of the type of…

In an intermediate-momentum regime where mass effects are significant, heavy quark suppression and anisotropic flow are computed to investigate the transition between the collisional and radiative energy loss. Based on the collision kernel…

The end-to-end dynamics of the smallest energized Criegee intermediate, H$_2$COO, was characterized for vibrational excitation close to and a few kcal/mol above the barrier for hydrogen transfer. From an aggregate of at least 5 $\mu$s of…

Radiative association processes leading to the formation of AgH in cold astrophysical environments are investigated for the first time using full quantum scattering theory. High accuracy potential energy curves and transition dipole moments…

The non-relativistic three-body Schr\"odinger equation of the heteronuclear molecular ion HD$^+$ is solved in perimetric coordinates using the Lagrange-mesh method. Energies and wave functions of the four lowest vibrational bound or…

We present a quantum mechanical study of the diatomic hydrogen $H(^{2}S)$ and oxygen $O(^{3}P)$ collision and energy transfer for its four molecular symmetry $(X^{2}\Pi, ^{2}\Sigma^{-}, ^{4}\Pi, ^{4}\Sigma^{-})$, which is important for the…

Quantum reactive scattering calculations for the hydrogen exchange reaction H + H$_2$($v=4$, $j=0$) $\to$ H + H$_2$($v'$, $j'$) and its isotopic analogues are reported for ultracold collision energies. Due to the unique properties…

We developed a general theoretical approach and a user-ready computer code that permit to study the dynamics of collisional energy transfer and ro-vibrational energy exchange in complex molecule-molecule collisions. The method is a mixture…

We use (3+1)-dimensional hydrodynamics with exact longitudinal boost-invariance to study the influence of collision centrality and initial energy density on the transverse flow pattern and the angular distributions of particles emitted near…

The kinetics and energetic relaxation associated with collisions between fast and thermal atoms are of fundamental interest for escape and therefore also for the evolution of the Mars atmosphere. The total and differential cross-sections of…

Inelastic processes rate coefficients for low-energy Sr + H, Sr$^+$ + H$^-$, Sr$^+$ + H and Sr$^{2+}$ + H$^-$ collisions are calculated using multichannel quantum model approach. 31 scattering channels of SrH$^+$ and 17 scattering channels…

Rate coefficients for collisional processes such as rotational and vibrational excitation are essential inputs in many astrophysical models. When rate coefficients are unknown, they are often estimated using known values from other systems.…

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…

Studies of QCD phase transition signals are often conducted under spatially uniform temperature conditions. However, the influence of spatial temperature gradients on the signals emerging at the phase interface in the fireball generated by…

Holographic RG flows dual to QFTs on maximally symmetric curved manifolds (dS$_d$, AdS$_d$, and $S^d$) are considered in the framework of Einstein-dilaton gravity in $d+1$ dimensions. A general dilaton potential is used and the flows are…

A theoretical model of resonant hyper-Raman scattering by an ensemble of spherical semiconductor quantum dots has been developed. The electronic intermediate states are described as Wannier-Mott excitons in the framework of the envelope…

We compute the radiative ro-vibrational emission spectrum of H2 involving quasibound states via a simple numerical method of resolution of the Schr\"odinger equation by introducing a modifed effective molecular potential. The comparison of…