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For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
X-ray spectroscopy is an important tool for the investigation of matter. X rays primarily interact with inner-shell electrons creating core (inner-shell) holes that will decay on the time scale of attoseconds to few femtoseconds through…
The internally electrodynamic (IED) particle model was derived based on overall experimental observations, with the IED process itself being built directly on three experimental facts, a) electric charges present with all material…
Over the last three decades numerous numerical methods for solving the time-dependent Schr\"{o}dinger equation within the single-active electron approximation have been developed for studying ionization of atomic targets exposed to an…
While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical…
By minimizing the difference between the left- and the right-hand sides of the many-body time-dependent Schr\"{o}dinger equation with the Slater-determinant wave-function, we derive a non-adiabatic and self-interaction free time-dependent…
The purpose of this paper is to investigate several issues concerning the Dirac equation from a time-frequency analysis perspective. More precisely, we provide estimates in weighted modulation and Wiener amalgam spaces for the solutions of…
The time-dependent Dirac equation is solved using the three-dimensional Finite Difference-Time Domain (FDTD) method. The dynamics of the electron wave packet in a vector potential is studied in the arrangements associated with the…
The purpose of the present paper is to discuss the time dependent Schr\"odinger equation on a metric graph with time-dependent edge lengths, and the proper way to pose the problem so that the corresponding time evolution is unitary. We show…
In this paper we consider the nonlinear one-dimensional time-dependent Schroedinger equation with a periodic potential and a local perturbation. In the limit of large periodic potential the time behavior of the wavefunction can be…
The transient picture for a Bloch electron accelerating in an arbitrarily time-dependent homogeneous electric field is developed. The temporal sequence for the analysis includes the instant after electron injection, followed by the time…
We derive a time-dependent density functional theory appropriate for calculating the near-edge X-ray absorption spectrum in molecules and condensed matter. The basic assumption is to increase the space of many-body wave functions from one…
In this work we present the theoretical framework for the solution of the time-dependent Schr\"{o}dinger equation (TDSE) of atomic and molecular systems under strong electromagnetic fields with the configuration space of the electron's…
We develop a novel approach to the coupled motion of electrons and ions that focuses on the dynamics of the electronic subsystem. Usually the description of electron dynamics involves an electronic Schr\"odinger equation where the nuclear…
Solving the time-dependent Schr\"odinger equation (TDSE) is pivotal for modeling non-adiabatic electron dynamics, a key process in ultrafast spectroscopy and laser-matter interactions. However, exact solutions to the TDSE remain…
A separable $x-y$ model is solved for a specialized vector potential (no magnetic and weak electric fields) penetrating slowly\textbf{,} adiabatically into and across a rectangular box to which an electron is confined. The time-dependent…
We solve rigorously the time dependent Schr\"odinger equation describing electron emission from a metal surface by a laser field perpendicular to the surface. We consider the system to be one-dimensional, with the half-line $x<0$…
The problem of interest in this article are waves on a layer of finite depth governed by the Euler equations in the presence of gravity, surface tension, and vertical electric fields. Perturbation theory is used to identify canonical…
An effective operational approach to quantum mechanics is to focus on the evolution of wave-packets, for which the wave-function can be seen in the semi-classical regime as representing a classical motion dressed with extra degrees of…
We consider the inverse problem of determining the time and space dependent electromagnetic potential of the Schr\"odinger equation in a bounded domain of $\mathbb R^n$, $n\geq 2$, by boundary observation of the solution over the entire…