Related papers: Scattering of hydrogen molecules from a reactive s…
We performed high-dimensional quantum dynamical calculations of the dissociative adsorption and associative desorption of hydrogen on Cu(111). The potential energy surface (PES) is obtained from density functional theory calculations. Two…
A nonrelativistic quantum mechanical particle moving freely on a curved surface feels the effect of the nontrivial geometry of the surface through the kinetic part of the Hamiltonian, which is proportional to the Laplace-Beltrami operator,…
The dissociative adsorption of hydrogen on Pd(100) has been studied by ab initio quantum dynamics and ab initio molecular dynamics calculations. Treating all hydrogen degrees of freedom as dynamical coordinates implies a high dimensionality…
In this work we first study the quantum diffusion in a volume of a crystalline solid at high interstitial concentrations when the effects of the short-range interactions between the diffusing particles are to be factors. Within the scope of…
We report calculations of the dissociative adsorption of H_2 at Pd (100) covered with 1/4 monolayer of sulfur using quantum dynamics as well as molecular dynamics and taking all six degrees of freedom of the two H atoms fully into account.…
We study the quantum scattering in two spatial dimensions (2D). Our computational scheme allows to quantitatively analyze the scattering parameters for the strong anisotropy of the interaction potential. High efficiency of the method is…
We theoretically study the inelastic electron-H($2s$) scattering in a linearly polarized laser field in the domain of high scattering energies and moderate field intensities. We investigate the angular distributions and the resonance…
Reactions on surfaces play an important role in many technological applications. Since these processes are often rather complex, one tries to understand single steps of these complicated reactions by investigating simpler system. In…
In this article: a) a method is developed for calculating volumetric diagrams of elastic scattering of microparticles (in particular, electrons and photons) on single-layer and multi-layer statistically uneven surfaces; b) the diffraction…
An integral equation-based numerical method for scattering from multi-dielectric cylinders is presented. Electromagnetic fields are represented via layer potentials in terms of surface densities with physical interpretations. The existence…
Geometrically decorated two-dimensional (2D) discrete surfaces can be more effective than conventional smooth reflectors in managing wave radiation. Constructive non-specular wave scattering permits the scattering angle to be other than…
Diffusion rates are calculated on the basis of van Hove's formula for the dynamical structure factor (DSF) related to particle scattering at mobile adsorbates. The formula is evaluated quantum mechanically using eigenfunctions obtained from…
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…
A nonrelativistic scalar particle that is constrained to move on an asymptotically flat curved surface undergoes a geometric scattering that is sensitive to the mean and Gaussian curvatures of the surface. A careful study of possible…
We calculate the differential, total, and transport cross-sections for scattering of two-dimensional massless Dirac electrons by a circular barrier. For scatterer of a small radius, the cross-sections are dominated by quantum effects such…
We report six-dimensional quantum dynamical calculations of dissociative adsorption and associative desorption of the system H_2/Pd(100) using an ab-initio potential energy surface. We focus on rotational effects in the steering mechanism,…
Wave scattering from rough surfaces in addition the inverse scattering is an interesting approach to obtain the surface topography properties in various fields. Analytical expression in wave scattering from some known rough surfaces, not…
Grazing incidence fast atom diffraction has mainly been investigated with helium atoms, considered as the best possible choice for surface analysis. This article presents experimental diffraction profiles recorded with neon projectile,…
By the use of Green's second integral identity we determine the field scattered from a two-dimensional randomly rough isotropic or anisotropic Dirichlet or Neumann surface when it is illuminated by a scalar Gaussian beam. The integral…
We study the elastic scattering of quantum particles based on a real Hilbert space approach to quaternionic quantum mechanics ($\mathbbm H$QM) and derive expression for the wave function, the phase shifts, as well as the optical theorem for…