Related papers: Quantitative chemical mapping at the atomic scale
The study explores machine learning methods for revealing chemical sensitivity in Helium spin-echo spectroscopy, in order to obtain ultra-sensitive surface analytic technique. We model bi-species co-adsorbed systems and demonstrate that by…
We present application examples of a graphical method for the efficient construction of potential matrix elements in quantum physics or quantum chemistry. The simplicity and power of this method are illustrated through several examples. In…
Although uncertainty quantification has been making its way into nuclear theory, these methods have yet to be explored in the context of reaction theory. For example, it is well known that different parameterizations of the optical…
In this paper, based on the analysis of the formula (2.2) for calculating the elastic scattering diagrams of microparticles on a multilayer crystal surface, derived by the author in the article [3], it is shown that the stochastic approach…
Theoretical prediction of antilocalization of light in ultracold atomic gas samples, in the weak localization regime, is reported. Calculations and Monte-Carlo simulations show that, for selected spectral ranges in the vicinity of atomic…
The Complex Scaling Method (CSM) provides scattering wave functions which regularize resonances and suggest a resolution of the identity in terms of such resonances, completed by the bound states and a smoothed continuum. But, in the case…
The entanglement properties of systems in which elastic and inelastic reactions occur in projectile-target interactions is studied. A new measure of entanglement, the scattering entropy, based on the unitarity of the $S-$matrix (probability…
A new approach is described to the evaluation of the S-matrix in three-dimensional atom-diatom reactive quantum scattering theory. The theory is developed based on natural collision coordinates where progress along the reaction coordinate…
We present a model of non-ionizing scattering of electrons on atomic ensemble in matter, applicable in a wide electron energy range from ~eV up to relativistic ones. The approach based on the dynamic-structure factor formalism considers…
We investigate the scattering phenomena in two dimensions produced by a general finite-range nonseparable potential. This situation can appear either in a Cartesian geometry or in a heterostructure with cylindrical symmetry. Increasing the…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
Shot noise measurements on atomic and molecular junctions provide rich information about the quantum transport properties of the junctions and on the inelastic scattering events taking place in the process. Dissipation at the nanoscale, a…
The thousandfold increase in data-collection speed enabled by aberration-corrected optics allows us to overcome an electron microscopy paradox - how to obtain atomic-resolution chemical structure in individual nanoparticles, yet record a…
Scanning tunneling microscope (STM) has presented a revolutionary methodology to the nanoscience and nanotechnology. It enables imaging the topography of surfaces, mapping the distribution of electronic density of states, and manipulating…
Crystal lattice deformations can be described microscopically by explicitly accounting for the position of atoms or macroscopically by continuum elasticity. In this work, we report on the description of continuous elastic fields derived…
This paper focuses on the scaling of the S-matrix for elastic nucleon-nucleon scattering at large Nc. It is argued that the logarithm of a typical S-matrix element is proportional to Nc in the regime where the large Nc limit is taken with…
The performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules. With the aim of optimizing basis quality while maintaining strict localization of the orbitals, as…
We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating…
The projected electrostatic potential of a thick crystal is reconstructed at atomic-resolution from experimental scanning transmission electron microscopy data recorded using a new generation fast- readout electron camera. This practical…
Material properties depend sensitively on picometer scale atomic displacements introduced by local chemical fluctuations. Direct real-space, high spatial-resolution measurements of this compositional variation and corresponding distortion…