Related papers: Further study of the Over-Barrier Model to compute…
The simulation of ion-atom collisions remains a formidable challenge due to the complex interplay between electronic and nuclear degrees of freedom. We present a hybrid quantum-classical computing framework for simulating time-dependent…
We demonstrate a double-trap system well suited to study cold collisions between trapped ions and trapped atoms. Using Yb$^+$ ions confined in a Paul trap and Yb atoms in a magneto-optical trap, we investigate charge-exchange collisions of…
We consider trasfer-ionization in collisions of fast (3.6 -- 11 MeV/u) protons, alpha-particles and lithium nuclei with helium atoms. There are just a few basic mechanisms contributing to this process which can be grouped into correlated…
An improved real-time quantum Monte Carlo procedure is presented and applied to describe the electronic transfer dynamics along molecular chains. The model consists of discrete electronic sites coupled to a thermal environment which is…
Heavy-ion collision experiments offer a unique opportunity to explore the early stages of the Universe by creating matter under extreme conditions of high temperature and baryon density. The properties of such matter are governed by the…
In this paper we present a mathematical model for the electrochemical deposition aimed at the production of inverse opals. The real system consists of an arrangement of sub micrometer spheres, through which the species in an electrolytic…
Electron density is a fundamental quantity, which can in principle determine all ground state electronic properties of a given system. Although machine learning (ML) models for electron density based on either an atom-centered basis or a…
Universal properties of the Coulomb interaction energy apply to all many-electron systems. Bounds on the exchange-correlation energy, inparticular, are important for the construction of improved density functionals. Here we investigate one…
We present a combined theoretical and experimental study of primary and post-collision mechanisms involved when colliding low energy multiply charged ions with van der Waals dimers. The collision dynamics is investigated using a classical…
A decade ago, an electron-attachment process called interatomic Coulombic electron capture has been predicted to be possible through energy transfer to a nearby neighbor. It has been estimated to be competitive with environment-independent…
The kinetic behavior of a phase field model of electrochemistry is explored for advancing (electrodeposition) and receding (electrodissolution) conditions in one dimension. We described the equilibrium behavior of this model in [J. E.…
A theoretical method for the estimation of cross sections and rates for excitation and charge transfer processes in low-energy hydrogen atom collisions with neutral atoms, based on an asymptotic two-electron model of ionic-covalent…
Invoking Maxwell's classical electrodynamics in conjunction with expressions for the electromagnetic (EM) energy, momentum, force, and torque, we use a few simple examples to demonstrate the nature of linear and angular momentum exchange…
Molecular-orbital-based machine learning (MOB-ML) provides a general framework for the prediction of accurate correlation energies at the cost of obtaining molecular orbitals. We demonstrate the importance of preserving physical…
Quantum algorithms have the potential to revolutionize our understanding of open quantum systems in chemistry. In this work, we demonstrate that a repeated interaction model, which could serve as the foundation for a digital quantum…
Electric dipole moments are extremely sensitive probes of physics beyond the Standard Model. A vibrant experimental program is in place, with the goal of improving existing bounds on the electron and neutron electric dipole moments by one…
Many applications require that we learn the parameters of a model from data. EM is a method used to learn the parameters of probabilistic models for which the data for some of the variables in the models is either missing or hidden. There…
The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes and a detailed…
Muon-electron conversion in nuclei is considered in the framework of the Dualized Standard Model. The ratio $B_{\mu-e}$ of the conversion rate to the total muon capture rate is derived, and computed for several nuclei in a parameter-free…
We obtain an expression for the matrix element for a twisted (Laguerre-Gaussian profile) photon scattering from a hydrogen atom. We consider photons incoming with an orbital angular momentum (OAM) of $\ell \hbar$, carried by a factor of…