Related papers: Further study of the Over-Barrier Model to compute…
Partial atomic charges are a useful and intuitive concept for understanding molecular properties and chemical reaction mechanisms, showing how changes in molecular geometry can affect the flow of electronic charge within a molecule.…
This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…
Thanks to progress in optics in the past two decades, it is possible to create photons carrying well-defined non-zero orbital angular momentum (OAM). Boosting these photons into high-energy range preserving their OAM seems feasible.…
Optically trapped Rydberg atoms are a suitable platform to explore quantum many-body physics mediated by long-range atom--atom interactions that can be engineered through externally applied light fields. However, this approach is limited to…
Effective management and just-in-time maintenance of lithium-ion batteries require the knowledge of unmeasured (internal) variables that need to be estimated. Observers are thus designed for this purpose using a mathematical model of the…
The lowest-lying states of LiH have been widely used to develop and calibrate many different methods in quantum mechanics. In this paper we show that the electron-transfer processes occurring in these two states are a difficult test for…
We propose a scheme to exchange optical vortices of slow light using the phenomenon of electromagnetically induced transparency (EIT) in a four-level double-$\Lambda$ atom-light coupling scheme illuminated by a pair of probe fields as well…
The electron detachment from the hydrogen negative ion in strong fields is studied using the two-electron and different single-electron models within the quasistatic approximation. A special attention is payed to over-the-barrier regime…
Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…
Very low-energy scattering of orthopositronium by helium has been investigated for simultaneous study of elastic cross section and pick-off quenching rate using a model exchange potential. The present calculational scheme, while agrees with…
At high energies, in particle-capture processes between ions and atoms, classical kinematic requirements show that generally double collision Thomas processes dominate. However, for certain mass-ratios these processes are kinematically…
We consider diatomic systems in which the kinetic energy of the electrons is treated in a simple relativistic model. The Born-Oppenheimer approximation is assumed. We investigate questions of stability, deducing bounds on the number $N$ of…
A potential model to describe the total cross section of nuclear fusion reactions at low energies is proposed. It is shown that within an approach with a simple, single barrier potential a satisfactory description of data is hindered, while…
Intense laser ionization expands Einstein's photoelectric effect rules giving a wealth of phenomena widely studied over the last decades. In all cases, so far, photons were assumed to carry one unit of angular momentum. However it is now…
We consider the scattering of high energy leptons off bound atomic electrons focusing primarily on final state interactions i.e., the exchange of virtual photons between the outgoing energetic electron, and the heavy residual charged…
The recent demonstration of electron vortex beams has opened up the new possibility of studying orbital angular momentum (OAM) in the interaction between electron beams and matter. To this aim, methods to analyze the OAM of an electron beam…
For a molecule, the two-center interference and the molecular scattering phase of the electron are important for almost all the processes that may occur in a laser field. In this study, we investigate their effects in the transfer of linear…
The boundary element method (BEM) enables solving three-dimensional electromagnetic problems using a two-dimensional surface mesh, making it appealing for applications ranging from electrical interconnect analysis to the design of…
We present a simple experimental scheme, based on standard atom optics techniques, to design highly versatile model systems for the study of single particle quantum transport phenomena. The scheme is based on a discrete set of free-particle…
We present a variant of the recently developed quantum corrected model (QCM) for plasmonic nanoparticles [Nature Commun. 3, 825 (2012)] using non-local boundary conditions. The QCM accounts for electron tunneling in narrow gap regions of…