Related papers: Atomistic simulation of light-induced changes in h…
Light beams carrying orbital angular momentum, such as Laguerre-Gaussian beams, give rise to the violation of the standard dipolar selection rules during the interaction with matter yielding, in general, an exchange of angular momentum…
The formation of light nuclei in high-energy collisions provides valuable insights into the underlying dynamics of the strong interaction and the structure of the particle-emitting source. Understanding this process is crucial not only for…
Many large scale numerical simulations of astrophysical plasmas must also reproduce the hydrogen ionization and the resulting emission spectrum, in some cases quite accurately. We describe a compact model hydrogen atom that can be readily…
We present a realistic theoretical treatment of a three-level $\Lambda$ system in a hot atomic vapor interacting with a coupling and a probe field of arbitrary strengths, leading to electromagnetically-induced transparency and slow light…
This experimental PhD work deals with the generation and transformation processes of point defects induced by UV laser irradiation on amorphous silicon dioxide (silica). The investigation relies on several spectroscopic techniques used to…
We study the spin dynamics of a Heisenberg model at finite temperature in the presence of an external field or a uniaxial anisotropy. For the case of the uniaxial anisotropy our simulations show that the macro moment picture breaks down. An…
We present a semi-relativistic model for the description of the ionization process of atomic hydrogen by electron impact in the first Born approximation by using the Darwin wave function to describe the bound state of atomic hydrogen and…
Localized basis ab initio molecular dynamics simulation within the density functional framework has been used to generate realistic configurations of amorphous silicon carbide (a-SiC). Our approach consists of constructing a set of smart…
We study the laser-assisted twisted electron beam impact ionization of the hydrogen atom in coplanar asymmetric geometry. We develope the theoretical model in the first Born approximation. In the presence of the laser field, we treat the…
The growth of thin amorphous hydrogenated carbon films (a-C:H) on diamond (111) surface from the bombardment of CH2 radicals is studied using molecular dynamics simulations. The structural analysis shows that the local structure (e.g., the…
We investigate the characteristic effects of nuclear motion on attosecond transient absorption spectra in molecules by calculating the spectrum for different model systems. Two models of the hydrogen molecular ion are considered: one where…
Motivated by recent experiments on radiative recombination of two-dimensional electrons in acceptor doped GaAs-AlGaAs heterojunctions as well as the success of a harmonic solid model in describing tunneling between two-dimensional electron…
The coupling of excited states and ionic dynamics is the basic and challenging point for the materials response at extreme conditions. In laboratory, the intense laser produces transient nature and complexity with highly nonequilibrium…
This paper presents an $ab$ $initio$ study of hydrogen dynamics inside nanometer-size voids in $a$-Si within the framework of the density-functional theory for a varying hydrogen load of 10 to 30 H atoms/void at the low and high temperature…
We introduce a scheme that combines photon-assisted tunneling by a moving optical lattice with strong Hubbard interactions, and allows for the quantum simulation of paradigmatic quantum many-body models. We show that, in a certain regime,…
The enhancement of Er$^{3+}$-based up-conversion for photovoltaics in multilayer porous silicon photonic structures is considered theoretically and experimentally. Transfer matrix simulations are used to assess the increased photonic…
We have observed reversible light-induced mechanical switching for a single organic molecule bound to a metal surface. Scanning tunneling microscopy (STM) was used to image the features of an individual azobenzene molecule on Au(111) before…
We report first principles ab initio density functional calculations of hydrogen dynam- ics in hydrogenated amorphous silicon. Thermal motion of the host Si atoms drives H diffusion, as we demonstrate by direct simulation and explain with…
The photo-induced metal-insulator transition is studied by the numerical simulation of real-time quantum dynamics of a double-exchange model. The spatial and temporal evolutions of the system during the transition have been revealed…
The computational simulation of photo-induced processes in large molecular systems is a very challenging problem. Here, we present a detailed description of our implementation of a molecular dynamics with electronic transitions algorithm…