Related papers: Quantitative chemical mapping at the atomic scale
A scattering model is developed for ultracold molecular collisions, which allows inelastic processes, chemical reactions, and complex formation to be treated in a unified way. All these scattering processes and various combinations of them…
We study relativistic scattering when one only has access to a subset of the particles, using the language of quantum measurement theory. We give an exact, non-perturbative formula for the von Neumann entanglement entropy of an apparatus…
Inclusive electron scattering from nuclei at large x and $Q^2$ is the result of a reaction mechanism that includes both quasi--elastic scattering from nucleons and deep inelastic scattering from the quark constituents of the nucleons. Data…
Three-dimensional phase contrast imaging of multiply-scattering samples in X-ray and electron microscopy is extremely challenging, due to small numerical apertures, the unavailability of wavefront shaping optics, and the highly nonlinear…
The decay of an excited atom in the presence of a medium that both scatters and absorbs radiation is studied with the help of a quantum-electrodynamical model. The medium is represented by a half space filled with a randomly distributed set…
Quantum scale estimation, as introduced and explored here, establishes the most precise framework for the estimation of scale parameters that is allowed by the laws of quantum mechanics. This addresses an important gap in quantum metrology,…
Quantum entanglement is one of the core features of quantum theory. While it is typically revealed by measurements along carefully chosen directions, here we review different methods based on so-called random or randomized measurements.…
Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is…
In quantum metrology, entangled states of many-particle systems are investigated to enhance measurement precision of the most precise clocks and field sensors. While single-parameter quantum metrology is well established, many metrological…
Scattering of a tightly focused electron beam by an atom forms one of the bases of modern electron microscopy. A fundamental symmetry breaking occurs when the target atom is displaced from the beam center. This displacement results in a…
The real-space multiple-scattering (RSMS) approach is applied to model non-resonant inelastic scattering from deep core electron levels over a broad energy spectrum. This approach is applicable to aperiodic or periodic systems alike and…
Ultrafast electron diffraction and time-resolved serial crystallography are the basis of the ongoing revolution in capturing at the atomic level of detail the structural dynamics of molecules. However, most experiments employ the classical…
We introduce multiscale invariant dictionaries to estimate quantum chemical energies of organic molecules, from training databases. Molecular energies are invariant to isometric atomic displacements, and are Lipschitz continuous to…
The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic scale structure of matter and its properties, involves transforming the Cartesian…
Recent developments dedicated to the building of multiscale mechanical and chemical constitutive laws for energetic molecular crystals are presented and discussed. In particular, various tools have been specifically incorporated in…
We show how to detect and quantify entanglement of atoms in optical lattices in terms of correlations functions of the momentum distribution. These distributions can be measured directly in the experiments. We introduce two kinds of…
Analysis of experimental data shows that the metal--insulator transition is possible in materials composed of atoms of only metallic elements. Such a transition may occur in spite of the high concentration of valence electrons. It requires…
Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes…
We reexamine the role of electron binding effects in the inelastic neutrino-atom scattering induced by the neutrino magnetic moment. The differential cross section of the process is presented as a sum of the longitudinal and transverse…
Variational ab-initio methods in quantum chemistry stand out among other methods in providing direct access to the wave function. This allows in principle straightforward extraction of any other observable of interest, besides the energy,…