Related papers: Computing photoionization spectra in Gaussian basi…
We describe a method for the calculation of photoionization cross-sections using square-integrable amplitudes obtained from the diagonalization of finite-basis set representations of the electronic Hamiltonian. Three examples are…
In this work, we investigate the photoionization cross-section of an electron confined in a quantum dot, considering the position-dependent variation of the effective mass through the parameter $\gamma$. We used a theoretical model based on…
Several different approximations and techniques have been developed for the calculation of atomic structure, ionization, and excitation of atoms and ions. These techniques have been used to compute large amounts of spectroscopic data of…
We present a detailed model of the discrete X-ray spectroscopic features expected from steady-state, low-density photoionized plasmas. We apply the Flexible Atomic Code (FAC) to calculate all of the necessary atomic data for the full range…
We outline a non-perturbative procedure for calculating the total photoionization cross-section of two-electron atomic systems. The procedure is based on the Floquet-Fourie representation of the solution of the time-dependent Schrodinger…
We perform an unitary transformation for the symmetric phonon mode of the Holstein molecular crystal hamiltonian. We show how to compute the electronic spectral functions by exact numerical diagonalisation of an effective hamiltonian fully…
Photoelectron spectroscopy is a powerful method that provides insight into the quantum mechanical properties of a wide range of systems. The ionized electron wavefunction carries information on the structure of the bound orbital, the ionic…
By analyzing ``exact'' theoretical results from solving the time-dependent Schr\"odinger equation of atoms in few-cycle laser pulses, we established the general conclusion that differential elastic scattering and photo-recombination cross…
A precise understanding of mechanisms governing the dynamics of electrons in atoms and molecules subjected to intense laser fields has a key importance for the description of attosecond processes such as the high-harmonic generation and…
We present a method for the calculation of photoemission spectra in terms of reduced density matrices. We start from the spectral representation of the one-body Green's function G, whose imaginary part is related to photoemission spectra,…
We present a method for accurately computing transition probabilities in one-dimensional photoionization problems. Our approach involves solving the time-dependent Schr\"odinger equation and projecting its solution onto scattering states…
Focused laser fields with textured polarization on a sub-wavelength scale allow extracting information on electronic processes which are not directly accessible by homogeneous fields. Here, we consider photoionization in radially and…
We present the extension of the time-dependent configuration interaction singles (TDCIS) method to the computation of the electron kinetic-energy spectrum in photoionization processes. Especially for strong and long ionizing light pulses…
The non-linearity of a conditional photon-counting measurement can be used to `de-Gaussify' a Gaussian state of light. Here we present and experimentally demonstrate a technique for photon number resolution using only homodyne detection. We…
A phenomenological approach is presented that allows one to model, and thereby interpret, photoemission spectra of strongly correlated electron systems. A simple analytical formula for the self-energy is proposed. This self-energy describes…
Electronic structure methods for accurate calculation of molecular properties have a high cost that grows steeply with the problem size, therefore, it is helpful to have the underlying atomic basis functions that are less in number but of…
We present a theoretical method for calculating multiphoton ionization amplitudes and cross sections of few-electron atoms. The present approach is based on an extraction of partial wave amplitudes from a scattering wave function, which is…
We present a variational augmentation procedure to optimize the exponents of Gaussian continuum basis sets for simulating strong-field laser ionization phenomena such as higher harmonic generation (HHG) in atoms and ions using the…
We present a fully parameter-free density-functional approach for the accurate description of optical absorption spectra of insulators, semiconductors and metals. We show that this can be achieved within time-dependent…
The complex Kohn variational method is extended to compute light-driven electronic transitions between continuum wavefunctions in atomic and molecular systems. This development enables the study of multiphoton processes in the perturbative…