Related papers: A time-dependent Schr\"odinger equation for molecu…
Transparent boundary conditions for the time-dependent Schrodinger equation are implemented using the R-matrix method. The employed scattering formalism is suitable for describing open quantum systems and provides the framework for the…
The paper reviews briefly elements from our work on the solution of various field induced, time independent or time dependent many electron problems, which has been developed and carried out within state and property specific frameworks.…
Sub-angstrom spatial resolution of electron density coupled with sub-femtosecond temporal resolution is required to directly observe the dynamics of the electronic structure of a molecule after photoinitiation or some other ultrafast…
Ultrafast time-resolved x-ray scattering is an emerging approach to image the dynamical evolution of the electronic charge distribution during complex chemical and biological processes in real-space and real-time. Recently, the differences…
The Schroedinger equation with an energy-dependent complex absorbing potential, associated with a scattering system, can be reduced for a special choice of the energy-dependence to a harmonic inversion problem of a discrete pseudo-time…
We describe a method to compute photon-matter interaction and atomic dynamics with X-ray lasers using a hybrid code based on classical molecular dynamics and collisional-radiative calculations. The forces between the atoms are dynamically…
Coherent control of quantum dynamics is key to a multitude of fundamental studies and applications alike. In the visible or longer-wavelength domains, near-resonant light fields have become the primary tool to control electron dynamics.…
Time-resolved soft-X-ray photoemission spectroscopy is used to simultaneously measure the ultrafast dynamics of core-level spectral functions and excited states upon excitation of excitons in WSe$_2$. We present a many-body approximation…
We study the breakup of $\text{H}_2^+$ exposed to super-intense, femtosecond laser pulses with frequencies greater than that corresponding to the ionization potential. By solving the time-dependent Schr\"odinger equation in an extensive…
We simulate the dynamics of H2+ and HD+ by direct solution of the time-dependent Schroedinger equation for the electronic and nuclear motion for the interaction of intense femtosecond pulses. On these timescales the rotational motion, even…
We develop a framework to evaluate the time-dependent resonant inelastic X-ray scattering (RIXS) signal with the use of non-equilibrium dynamical mean field theory simulations. The approach is based on the solution of a time-dependent…
For tracing the spatiotemporal evolution of electronic systems, we suggest and analyze theoretically a setup that exploits the excellent spatial resolution based on scanning tunneling microscopy techniques combined with the temporal…
We study the dynamics of initial nucleation processes of photoinduced structural change of molecular crystals. In order to describe the nonadiabatic transition in each molecule, we employ a model of localized electrons coupled with a fully…
We have studied the Stark effect in the soft x-ray region for various small molecules by calculating the field-dependent x-ray absorption spectra. This effect is explained in terms of the response of molecular orbitals (core and valence),…
Transport and scattering phenomena in open quantum-systems with a continuous energy spectrum are conveniently solved using the time-dependent Schrodinger equation. In the time-dependent picture, the evolution of an initially localized…
X-ray interaction with matter is an energy-dependent process that is contingent on the atomic structure of the constituent material elements. The most advanced models to capture this relationship currently rely on Monte Carlo (MC)…
Solar flares are explosive releases of magnetic energy stored in the solar corona, driven by magnetic reconnection. These events accelerate electrons, generating hard X-ray emissions and often display Quasi Periodic Pulsations (QPPs) across…
We investigate the \alpha-decay of a spherical nucleus under the influence of an ultra-intense laser field for the case when the radius vector joining the center-of-masses of the \alpha-particle and the daughter is aligned with the…
The temperature dependence of the site-dependent nuclear spin relaxation time T_1 around vortices is studied in s-wave and d-wave superconductors.Reflecting low energy electronic excitations associated with the vortex core, temperature…
Electrons colliding with spatially fixed ions in strong laser fields are investigated by solving the time-dependent Schr\"odinger equation. Considering first simple one-dimensional model systems, the mechanisms and energy spectra of fast…