Related papers: Generalised hydrogen interactions with $\texttt{CI…
We perform molecular dynamics simulations driven by accurate Quantum Monte Carlo forces on dense liquid hydrogen. Recently it has been reported a complete atomization transition between a mixed-atomic liquid and a completely dissociated…
Semi-empirical molecular dynamics is used to simulate several gaseous atomic hydrogen interactions with hydrocarbon grains in space: recoil, adsorption, diffusion, chemisorption and recombination into molecular hydrogen. Their probabilities…
We use the QCD instanton vacuum model to discuss the emergence of the light scalar and vector mesons on the light front. We take into account both the instanton and anti-instanton single and molecular interactions on the light quarks, in…
We present a theoretical and numerical scheme that enables quantifying hydrogen ingress in metals for arbitrary environments and defect geometries. This is achieved by explicitly resolving the electrochemical behaviour of the electrolyte,…
We compute ionic free energy adsorption profiles at aqueous graphene interface by developing a self-consistent approach. To do so, we design a microscopic model for water and put the liquid on an equal footing with the graphene described by…
Hydrogen atom is studied as a quantum-classical hybrid system, where the proton is treated as a classical object while the electron is regarded as a quantum object. We use a well known mean-field approach to describe this hybrid hydrogen…
By using the plane-wave expansion for the electromagnetic-field vector potential, transition matrix elements between the relativistic bound and unbound states of hydrogenic atoms were expressed explicitly in terms of finite series made of…
Nonrelativistically forbidden, single-photon transition rates between low lying states of the helium atom are rigorously derived within quantum electrodynamics theory. Equivalence of velocity and length gauges, including relativistic…
We compare the mass and internal distribution of atomic hydrogen (HI) in 2200 present-day central galaxies with M_star > 10^10 M_Sun from the 100 Mpc EAGLE Reference simulation to observational data. Atomic hydrogen fractions are corrected…
Exchange interactions among defects in semiconductors are commonly treated within effective-mass theory using a scaled hydrogenic wave-function. However such a wave-function is only applicable to shallow impurities; here we present a simple…
Following Bi & Davidsen (1997), we perform one dimensional semi analytic simulations along the lines of sight to model the intergalactic medium (IGM). Since this procedure is computationally efficient in probing the parameter space -- and…
We present a unified view of the frequency dependence of the various scattering processes involved when a neutral hydrogen atom interacts with a monochromatic, linearly-polarized photon. A computational approach is employed of the atom…
We study the spectrum of the hydrogen atom in Snyder space in a semiclassical approximation based on a generalization of the Born-Sommerfeld quantization rule. While the corrections to the standard quantum mechanical spectrum arise at first…
Femtosecond high-order harmonic transient absorption spectroscopy is used to resolve the complete |j,m> quantum state distribution of Xe+ produced by optical strong-field ionization of Xe atoms at 800nm. Probing at the Xe N_4/5 edge yields…
We simulate the space-time dynamics of high-energy collisions based on a microscopic kinetic description in the conformal relaxation time approximation, in order to determine the range of applicability of an effective description in…
A first-order liquid-liquid phase transition in high-pressure hydrogen between molecular and atomic fluid phases has been predicted in computer simulations using ab initio molecular dynamics approaches. However, experiments indicate that…
Studying chemical reactions, particularly in the gas phase, relies heavily on computing scattering matrix elements. These elements are essential for characterizing molecular reactions and accurately determining reaction probabilities.…
Understanding ion-matter interactions at the atomistic level is key to advancing materials for the semiconductor industry, space systems, and nuclear fusion technologies. However, most atomistic frameworks still rely on simplified…
Quasi-static models of barrier suppression have played a major role in our understanding of the ionization of atoms and molecules in strong laser fields. Despite their success, in the case of diatomic molecules these studies have so far…
We present a formalism that enables the analytic calculation of the interaction of a spin-half particle with a polychromatic electromagnetic field. This powerful new approach provides a clear physical picture even for cases with highly…