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We explore how the spectral phase of atto\-second pulse trains influences the optical cross section in transient absorption (TA) spectroscopy. The interaction of extreme ultraviolet (XUV) and time-delayed near-infrared (NIR) fields with an…
Transients powered by interaction with the circumstellar medium (CSM) are often observed in wavelengths other than optical, and multi-wavelength modelling can be important when inferring the properties of the explosion and CSM, or for…
We study theoretically and experimentally the electronic relaxation of NO2 molecules excited by absorption of one ~400 nm pump photon. Semi-classical simulations based on trajectory surface hopping calculations are performed. They predict…
We present dynamic Monte Carlo simulations of a lattice-gas model for bromine electrodeposition on single-crystal silver (100). This system undergoes a continuous phase transition between a disordered phase at low electrode potentials and a…
Recent scanning tunneling spectroscopy (STM) experiments display images with star and ellipsoidal like features resulting from unique geometrical arrangements of a few adsorbed hydrogen atoms on graphite. Based on first-principles STM…
Rotationally resolved infrared spectra are reported for the X-HCN (X = Cl, Br, I) binary complexes solvated in helium nanodroplets. These results are directly compared with that obtained previously for the corresponding X-HF complexes [J.…
Radiatively inefficient, hot accretion flows are widely considered as a relevant accretion mode in low-luminosity AGNs. We study spectral formation in such flows using a refined model with a fully general relativistic description of both…
Saturable absorption is a nonlinear effect where a material's ability to absorb light is frustrated due to a high influx of photons and the creation of electron vacancies. Experimentally induced saturable absorption in copper revealed a…
We predict a significant delay of two-electron photoemission from the helium atom after absorption of an attosecond XUV pulse. We establish this delay by solving the time dependent Schr\"odinger equation and by subsequent tracing the…
Amorphous hydrogenated silicon (a-Si:H) is an important material for surface defect passivation of photovoltaic silicon (Si) wafers in order to reduce their recombination losses. The material is however unstable with regards to hydrogen (H)…
The iron thiolate complex is a simplified model of the active site of diiron hydrogenase enzymes. Here, we describe the implementation of this noble metal free catalyst in aqueous solutions using eosin Y as photosensitizer and triethylamine…
We observed surface X-ray diffraction from He-4 submonolayers adsorbed on a single-surface graphite using synchrotron X-rays. Time evolutions of scattering intensities along the crystal truncation rod (CTR) were observed even after reaching…
Molecular hydrogen ions in weakly bound states close to the first dissociation threshold are attractive quantum sensors for measuring the proton-to-electron mass ratio and hyperfine-induced ortho-para mixing. The experimental accuracy of…
We offer a quantum chemical analysis of mono-halogenated borane molecules using DFT and TD-DFT theories, applying the PBE0/def2-SVPD and B3LYP/6-311+G(d) methods as implemented in ORCA, and explore how solvent effects influence electronic…
We present chronocoulometry experiments and equilibrium Monte Carlo simulations for the electrosorption of Br and Cl on Ag(100) single-crystal electrode surfaces. Two different methods are used to calculate the long-range part of the…
We devise a theory of x-ray absorption by symmetric-top molecules which are aligned by an intense optical laser. Initially, the density matrix of the system is composed of the electronic ground state of the molecules and a thermal ensemble…
A rather simple method is used to detect at once both optical absorption spectra and excited-states nonradiative transitions in 0,03 at ${%}$ and 0,16 at ${%}$ ruby at temperature 2 K. The technique utilizes a time-resolved bolometer…
Adsorption of para-Hydrogen on the surface of graphite pre-plated with a single layer of atomic krypton is studied thoretically by means of Path Integral Ground State Monte Carlo simulations. We compute energetics and density profiles of…
We report on the observation, characterization, and control of the electron dynamics in ionized argon atoms. We utilized an intense mid-infrared (MIR) pulse to create a coherent superposition of the spin-orbit split ground state of the ion.…
We have carried out a series of helium atom scattering measurements in order to characterise the adsorption properties of hydrogen on antimony(111). Molecular hydrogen does not adsorb at temperatures above 110 K in contrast to…