Related papers: Adiabatic Approximation of the Correlation Functio…
In the framework of the time dependent local density approximation, applied to valence electrons, coupled non-adiabatically to molecular dynamics of ions, the irradiations of ethylene by laser and fast charged projectiles are studied. We…
We develop a sensitivity function for the design of electron optics using an adjoint approach based on a form of reciprocity implicit in Hamilton's equations of motion. The sensitivity function, which is computed with a small number of…
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimisation framework based on the…
By extrapolating the energies of non-relativistic atoms and their ions with up to 3000 electrons within Kohn-Sham density functional theory, we find that the ionization potential remains finite and increases across a row, even as…
The cross section for single K-shell ionization by a high-energy photon is evaluated in the next-to-leading order of the nonrelativistic perturbation theory with respect to the electron-electron interaction. The screening corrections are of…
The Ionization Potentials of small Li_N clusters are calculated with a Shell Correction Method. They are used to illustrate that, within the jellium approximation, deformed cluster shapes provide an adequate description of the observed…
Based on the time-dependent density-functional theory, we have derived a rigorous formula for the stopping power of an {\it interacting} electron gas for ions in the limit of low projectile velocities. If dynamical correlation between…
We numerically study models of $\mathrm{H}_2$ and $\mathrm{LiH}$ molecules, aligned collinearly with the linear polarization of the external field, to elucidate the possible role of correlation in the enhanced-ionization phenomena.…
We analytically construct the wave function that, for a given initial state, produces a prescribed density for a quantum ring with two non-interacting particles in a singlet state. In this case the initial state is completely determined by…
There are several approximations to the exchange-correlation functional in density-functional theory that accurately predict total energy-related properties of many-electron systems, such as binding energies, bond lengths, and crystal…
In this paper we present a mathematical analysis of the photoelectric effect for one-electron atoms in the framework of non-relativistic QED. We treat photo-ionization as a scattering process where in the remote past an atom in its ground…
Pair densities and associated correlation functions provide a critical tool for introducing many-body correlations into a wide-range of effective theories. Ab initio calculations show that two-nucleon pair-densities exhibit strong spin and…
We present three dimensional time-dependent calculations of ionization of arbitrarily spatially oriented H$_2^+$ by attosecond, intense, high-frequency laser fields. The ionization probability shows a strong dependence on both the…
The quasistatic limit of the velocity-gauge strong-field approximation describing the ionization rate of atomic or molecular systems exposed to linear polarized laser fields is derived. It is shown that in the low-frequency limit the…
The two-photon decay of heavy, helium-like ions is investigated based on second-order perturbation theory and Dirac's relativistic equation. Special attention has been paid to the angular emission of the two photons, i.e., how the angular…
Ionization of hydrogen-like ions by intense, circularly polarized laser pulses is analyzed under the scope of the relativistic strong-field approximation. We show that, for specific parameters of the laser field, the energy spectra of…
Ionization, excitation, and de-excitation to the ground state is studied theoretically for the first excited singlet state B $^1\Sigma_u^+$ of H$_2$ exposed to intense laser fields with photon energies in between about 3 eV and 13 eV. A…
We illustrate how attosecond light pulses can be used to directly mapping out the time-dependence of the correlated motion of two excited atomic electrons, discuss how the two-electron correlations manifest themselves in realistic…
We examine the equilibrium properties of hot, dilute, non-relativistic plasmas. The partition function and density correlation functions of a classical plasma with several species are expressed in terms of a functional integral over…
Modern density functional theory (DFT) calculations employ the Kohn-Sham (KS) system of non-interacting electrons as a reference, with all complications buried in the exchange-correlation energy (Exc). The adiabatic connection formula gives…