Related papers: Ultrafast Nuclear Dynamics in Double-Core Ionized …
Ionization and excitation of water molecules in intense laser pulses is studied theoretically by solving the three-dimensional time-dependent electronic Schr\"odinger equation within the single-active-electron approximation. The possibility…
Collisional heavy ion double charge exchange (DCE) reactions, induced by second order nucleon-nucleon interactions, are shown to provide access to the two-body transition densities of the complementary DCE transitions in the interacting…
When analyzing the broadband absorption spectrum of liquid water (10^10 - 10^13 Hz), we find its relaxation-resonance features to be an indication of Frenkel's translation-oscillation motion of particles, which is fundamentally inherent to…
Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking…
Quantum nuclear zero-point motions in solid H$_2$ and D$_2$ under pressure are investigated at 80 K up to 160 GPa by first-principles path-integral molecular dynamics calculations. Molecular orientations are well-defined in phase II of…
We investigate the interaction of Xe with isolated attosecond XUV pulses. Specifically, we calculate the ion yields and determine the pathways leading to the formation of ionic charged states up to Xe$^{5+}$. To do so, in our formulation we…
Photoionization of an atom in the presence of a neighboring atom of different species is studied. The latter first undergoes resonant photoexcitation, leading to an autoionizing state of the diatomic system. Afterwards, the excitation…
We address the double hydrogen transfer (DHT) dynamics of the porphycene molecule: A complex paradigmatic system where the making and breaking of H-bonds in a highly anharmonic potential energy surface requires a quantum mechanical…
Dynamic stabilization of atomic hydrogen against ionization in high-frequency single- and two-color, circularly polarized laser pulses is observed by numerically solving the three-dimensional, time-dependent Schr\"odinger equation. The…
We compute molecular continuum orbitals in the single center expansion scheme. We then employ these orbitals to obtain molecular Auger rates and single-photon ionization cross sections to study the interaction of N2 with Free-Electron-Laser…
Water isotope separation, specifically separating heavy from light water, is a socially significant issue due to the usage of heavy water in applications such as nuclear magnetic resonance, nuclear power, and spectroscopy. Separation of…
The coupling of electronic and nuclear motion in polyatomic molecules is at the heart of attochemistry. The molecular properties, transient structures and reaction mechanism of these many-body quantum objects are defined on the level of…
We theoretically study how time- and angle-resolved photoemission spectroscopy can be applied for imaging coherent electron dynamics in molecules. We consider a process in which a pump pulse triggers coherent electronic dynamics in a…
A key challenge in ultrafast science has been to directly track the coupled motions of electrons and nuclei in real-space and real-time. This study presents a significant step towards this goal by demonstrating the feasibility of…
The influences of water molecules surrounding biological molecules during irradiation with heavy particles (atoms,ions) are currently a major subject in radiation science on a molecular level. In order to elucidate the underlying complex…
We study, in the framework of open quantum systems, the geometric phase acquired by a uniformly accelerated two-level atom undergoing nonunitary evolution due to its coupling to a bath of fluctuating vacuum electromagnetic fields in the…
Nuclei with static intrinsic octupole deformation or a soft octupole vibrational mode lead to strongly enhanced collective nuclear Schiff? moments. Interaction between electrons and these Schiff moments produce enhanced time reversal (T)…
The ultrashort time-integrated diagnosis of ions plays a vital role in high energy density physics research. However, it is extremely challenging to measure in experiment. Here, we demonstrate a reliable approach for investigating the…
The ultrafast dynamics of ions in solids following intense femtosecond laser excitation is governed by two fundamentally distinct yet interplaying effects. On one hand, the significant generation of hot electron-hole pairs by the light…
In recent years, ultrafast pump-probe spectroscopy has provided insightful information about nonequilibrium dynamics of excitations in materials. In a typical experiment of time-resolved x-ray absorption spectroscopy, the systems are…