Related papers: Time-dependent ab__initio molecular-orbital decomp…
In the framework of real-time time-dependent density functional theory (RT-TDDFT) we unravel the layer-resolved dynamics of the electronic structure of a (Fe)$_1$/(MgO)$_3$(001) multilayer system after an optical excitation with a frequency…
We present a comprehensive theoretical investigation of high-order harmonic generation in H$_2^+$ molecular ions within a quantum optical framework. Our study focuses on characterizing various quantum optical and quantum information…
Coherent time is a characteristic time in the extreme nonlinear optics regime and thus generally introduced as the dephasing time in the simulations of the solid-state high-harmonic generation. This characteristic time linked with the…
High-harmonic generation (HHG) in the two topological phases of a finite, one-dimensional, periodic structure is investigated using a self-consistent time-dependent density functional theory (TDDFT) approach. For harmonic photon energies…
High-order harmonic generation (HHG), characterized by its highly nonlinear nature, often exhibits a complex spatio-temporal profile that poses challenges for practical applications. In this study, we unveil a method for manipulating the…
We theoretically investigate photo-excitation of electron-hole pairs and high harmonic generation in the bulk of zinc oxide (ZnO) subjected to intense femto-second laser pulses with mid-infrared wavelength. The main microscopic mechanism of…
We present an extension of the code ProDiMo that allows for a modeling of processes pertinent to active galactic nuclei and to an ambient chemistry that is time dependent. We present a proof-of-concept and focus on a few astrophysically…
We theoretically investigate correlated electron dynamics in high-harmonic generation (HHG), using all-electron \emph{ab initio} simulations for three-dimensional real alkali-metal atoms. The resulting harmonic spectra exhibit a plateau…
Light beams carrying orbital angular momentum (OAM) have led to stunning applications in various fields from quantum information to microscopy. In this letter, we examine OAM from the recently discovered high-harmonic generation (HHG) in…
We study theoretically the two-center interferences occurring in high harmonic generation from diatomic molecules. By solving the time-dependent Schroedinger equation, either numerically or with the molecular strong-field approximation, we…
Effects of the laser pulse wavelength and intensity on the HHG production from the \textit{ionic} and \textit{homolytic} pre-ionization transient states of the two-electron H$_{2}$ system exposed to ultrashort intense laser pulses are…
Recently, the size-dependence of high-order harmonic generation (HHG) in quantum dots has been investigated experimentally. In particular, for longer driving wavelengths and QDs smaller than 3\,nm, HHG was strongly suppressed, however,…
High harmonic generation (HHG) is used to measure the spectral phase of the recombination dipole matrix element (RDM) in argon over a broad frequency range that includes the 3p Cooper minimum (CM). The measured RDM phase agrees well with…
A Charged harmonic oscillator in a magnetic field, Landau problems, and an oscillator in a noncommutative space, share the same mathematical structure in their Hamiltonians. We have considered a two-dimensional anisotropic harmonic…
Photoelectron Angular Distributions (PADs) resulting from 800 nm and 1300 nm strong field ionization of impulsively aligned CF$_3$I molecules were analyzed using time-dependent density functional theory (TDDFT). The normalized difference…
A new "on the fly" method to perform Born-Oppenheimer ab initio molecular dynamics (AIMD) is presented. Inspired by Ehrenfest dynamics in time-dependent density functional theory, the electronic orbitals are evolved by a Schroedinger-like…
High-order harmonic generation in multiphoton ionization regime is studied theoretically to examine the resonant effects of the generating particle. We solve the time-dependent Schr\"odinger equation for In+ in the laser field by expanding…
We introduce the histogram of oriented gradients (HOG), a tool developed for machine vision that we propose as a new metric for the systematic characterization of observations of atomic and molecular gas and the study of molecular cloud…
We analyze the influence of different recombination scenarios, involving one or two centers, on high-order harmonic generation (HHG) in diatomic molecules, for different values of the internuclear separation. We work within the strong-field…
We extend our recently developed semiclassical strong-field Herman-Kluk propagator (SFHK) method to calculate high-order harmonic generation (HHG) for atoms in intense lasers. We show that our method, based on a combination of the…