Related papers: First-principles simulations for attosecond photoe…
We investigate theoretically the relative time delay of photoelectrons originating from different atomic subshells of noble gases. This quantity was measured via attosecond streaking and studied theoretically by Schultze et al. [Science…
Photoionization as a half-scattering process is not instantaneous. Usually, time delays in photoionization are of the order of few tens of attoseconds (1 as = 10$^{-18}$ s). While going from a single atom to a nano-object, one can expect…
We have proposed and developed a method to utilize attosecond pulses in diffraction imaging techniques applied to complex samples. In this study, the effects of the broadband properties of the wavefield owing to attosecond pulses are…
Resonant Raman excitation by ultrafast vacuum ultraviolet laser pulses is a powerful means to study electron dynamics in molecules, but experiments must contend with linear background ionization: frequencies high enough to reach resonant…
Numerical simulations are presented to validate the possible use of cutting-edge attosecond time- resolved photoelectron spectroscopy to observe in real time the creation of an electronic wavepacket and subsequent electronic motion in a…
We use the soft photon approximation to extract the Wigner time delay from atomic two-color photoionization experiments. Unlike the strong field approximation, the present method does not require introduction of the Coulomb-laser coupling…
We study laser-assisted photodetachment time delays by attosecond pulse trains from the closed-shell negative ions F- and Cl-. We investigate the separability of the delay into two contributions: (i) the Wigner-like delay associated with…
We examine the archetype of an interference experiment for Auger electrons: two electron wave packets are launched by inner-shell ionizing a krypton atom using two attosecond light pulses with a variable time delay. This setting is an…
We put forward a first-principle NonEquilibrium Green's Function (NEGF) approach to calculate the transient photoabsorption spectrum of optically thin samples. The method can deal with pump fields of arbitrary strength, frequency and…
Using time dependent density functional theory (TDDFT) we examine the energy, angular and time-resolved photoelectron spectra (TRPES) of ethylene in a pump-probe setup. To simulate TRPES we expose ethylene to an ultraviolet (UV) femtosecond…
Ab initio based accurate simulation of phonon-assisted optical spectra of semiconductors at finite temperatures remains a formidable challenge, as it requires large supercells for phonon sampling and computationally expensive high-accuracy…
We study real-time photoionization flux at the $3s$ Amusia-Cooper minimum (ACM) in argon using \textit{ab initio} simulations with the relativistic time-dependent configuration-interaction singles (RTDCIS) method in length (LG) and velocity…
Phase transitions of solids and structural transformations of molecules are canonical examples of important photo-induced processes, whose underlying mechanisms largely elude our comprehension due to our inability to correlate electronic…
Light harvesting as the first step in photosynthesis is of prime importance for life on earth. For a theoretical description of photochemical processes during light harvesting, spectral densities are key quantities. They serve as input…
We present a time-dependent framework that combines a hybrid Gaussian-FEDVR basis with a multicenter grid to simulate strong-field and attosecond dynamics in atoms and molecules. The method incorporates the construction of the orthonormal…
Tracing ultrafast processes induced by interaction of light with matter is often very challenging. In molecular systems, the initially created electronic coherence becomes damped by the slow nuclear rearrangement on a femtosecond timescale…
We theoretically investigate ultrafast and nonlinear optical properties of graphite thin films based on first-principles time-dependent density functional theory. We first calculate electron dynamics in a unit cell of graphite under a…
We present an interferometric pump-probe technique for the characterization of attosecond electron wave packets (WPs) that uses a free WP as a reference to measure a bound WP. We demonstrate our method by exciting helium atoms using an…
The possibility of using time-resolved vibronic spectroscopy for spectral analysis of mixtures of chemical compounds with similar optical properties, when traditional methods are inefficient, is demonstrated by using the method of computer…
Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g. planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement…