Related papers: Reconstruction of a single-active-electron potenti…
An iterative algorithm for reconstructing the photon distribution from the random phase homodyne statistics is discussed. This method, derived from the maximum-likelihood approach, yields a positive definite estimate for the photon…
Single particle cryo-electron microscopy is a vital tool for 3D characterization of protein structures. A typical workflow involves acquiring projection images of a collection of randomly oriented particles, picking and classifying…
We investigate the possibility to deduce momentum space properties from time-dependent density functional calculations. Electron and ion momentum distributions after double ionization of a model Helium atom in a strong few-cycle laser pulse…
We study ab initio computations of the interaction of Lithium with a strong laser field. Numerical solutions of the time-dependent fully-correlated three-particle Schroedinger equation restricted to the one-dimensional soft-core…
Ionization of an atom or molecule presents surprising richness beyond our current understanding: strong-field ionization with low-frequency fields recently revealed unexpected kinetic energy structures (1, 2). A solid grasp on electron…
If one-electron observables of a many-electron system are of interest, a many-electron dynamics can be represented exactly by a one-electron dynamics with effective potentials. The formalism for this reduction is provided by the Exact…
A new method is presented for obtaining all-electron results from a pseudopotential calculation. This is achieved by carrying out a localised calculation in the region of an atomic nucleus using the embedding potential method of Inglesfield…
Atomic effective one-electron potentials in a compact analytic form in terms of a few Gaussian charge distributions are developed, for Hydrogen through Nobelium, for starting molecular electronic structure calculations by a simple…
We investigate the ionization dynamics of Argon atoms irradiated by an ultrashort intense laser of a wavelength up to 3100 nm, addressing the momentum distribution of the photoelectrons with near-zero-energy. We find a surprising…
We calculate two-dimensional photoelectron momentum distributions and energy spectra after multiphoton ionization of Li atoms subject to intense laser fields in one-photon Rabi-flopping regime. The time-dependent Schr\"{o}dinger equation is…
We investigate the recovery of structures from large-area, low dose exposures that distribute the dose over many identical copies of an object. The reconstruction is done via a maximum likelihood approach that does neither require to…
We present results on the accurate one-dimensional (1D) modeling of simple atomic and molecular systems excited by strong laser fields. We use atomic model potentials that we derive from the corrections proposed earlier using the reduced…
We extend the semiclassical two-step model for strong-field ionization that describes quantum interference and accounts for the Coulomb potential beyond the semiclassical perturbation theory to the hydrogen molecule. In the simplest case of…
We solve the orientation recovery of a tumbling protein in the gas phase from single-event measurements of the spatial positions of its ions after an X-ray laser induced explosion. We simulate diffracted X-ray signal and ion dynamics under…
Strong-field photoelectron momentum imaging of the prototypical biomolecule indole was disentangled in a combined experimental and computational approach. Experimentally, strong control over the molecules enabled the acquisition of…
Three-dimensional charge density maps computed by first-principles methods provide information about atom positions and the bonds between them, data which is particularly valuable when trying to understand the properties of point defects,…
The microscopic nucleus-nucleus optical potential is constructed basing on two patterns for real and imaginary parts, each calculated in the framework of microscopic models and multiplied by two normalizing factors, the free parameters,…
In this paper, the ionization and recombination coefficients of dense semiclassical hydrogen plasma on the basis of the effective interaction potential have been investigated. For this goal the Bohr$-$Lindhard method and method phase…
The method of H- photoionization is interesting for laser assisted charge exchange injection. In this paper, the model and computation of photoionization of negative hydrogen ion by using strong lasers is considered. The development of this…
We introduce the time-dependent restricted active space Configuration Interaction method to solve the time-dependent Schr\"odinger equation for many-electron atoms, and particularly apply it to the treatment of photoionization processes in…