Related papers: Non-dipole angular anisotropy parameters of semi-f…
Photoelectron angular distributions following the non-resonant two-photon K-shell ionization of neutral atoms are studied theoretically. Using the independent particle approximation and relativistic second-order perturbation theory, the…
We present a complete set of analytic fits to the non-relativistic photoionization cross sections for the ground states of atoms and ions of elements from H through Si, and S, Ar, Ca, and Fe. Near the ionization thresholds, the fits are…
We report the observation of macroscopic field-free orientation, i.e. more than 73 % of CO molecules pointing in the same direction. This is achieved through an all-optical scheme operating at high particle densities ($>10^{17}$cm$^{-3}$)…
External non-uniform magnetic fields acting on molecules induce non-collinear spin-densities and spin-symmetry breaking. This necessitates a general two-component Pauli spinor representation. In this paper, we report the implementation of a…
The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an…
In this Letter, we investigate the non-dipole effects in time delay of photoelectrons emitted by multi-electron atoms, negative ions, and respective endohedrals. We present the necessary general formulas in the frame of the random phase…
We study the manipulation of the photoelectron spin-polarization in Bi$_2$Se$_3$ by spin- and angle-resolved photoemission spectroscopy. General rules are established that enable controlling the spin-polarization of photoemitted electrons…
We derive the photoionisation cross section in dipole approximation for many-electron atoms and ions for neutron star magnetic field strengths in the range of 10^7 to 10^9 T. Both bound and continuum states are treated in adiabatic…
We demonstrate rather interesting manifestations of co-existence of resonance features in characteristics of the photoionization of 3d-electrons in Xe, Cs and Ba endohedral atoms. It is shown that for all of the considered atoms the…
We use relativistic Hartree-Fock and correlation potential methods to calculate nuclear spin-dependent parity non-conserving amplitudes (dominated by the nuclear anapole moment) between hyperfine structure components of the ground state of…
We report two schemes to generate perfect anisotropy in the photoelectron angular distribution of a randomly oriented ensemble of polyatomic molecules. In order to exert full control over the anisotropy of photoelectron emission, we exploit…
This work is aimed at the multiconfigurational Hartree-Fock calculations of the Er ionization energy. Authors have used the ATSP MCHF version in which there are new codes for calculation of spin-angular parts written on the basis of the…
The applicability of the Hartree-Fock and random phase approximations to models of strongly correlated electrons is discussed. The 2D Hubbard model is analyzed. An antiferromagnetic phase (at half filling) and Fermi liquid behavior (at low…
Fractional-spin errors are inherent in all current approximate density functionals, including Hartree-Fock theory, and their origin has been related to strong static correlation effects. The conventional way to encode fractional-spin…
We test a set of multiconfigurational wavefunction approaches for calculating the ground state electron population for a two-site Anderson model representing a molecule on a metal surface. In particular, we compare (i) a Hartree Fock like…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
We present a theoretical study of atomic laser-assisted photoionization emission (LAPE) beyond the dipole approximation. By considering the non-relativistic non-dipole strong-field approximation (non-dipole Gordon-Volkov wave function), we…
Photoabsorption cross sections of Nd and Sm isotopes from spherical to deformed even nuclei are systematically investigated by means of the quasiparticle-random-phase approximation based on the Hartree-Fock-Bogoliubov ground states…
Spin- and angular-resolved photoemission spectroscopy is a basic experimental tool for unveiling spin polarization of electron eigenstates in crystals. We prove, by using spin-orbit coupled graphene as a model, that photoconversion of a…
A nonadiabatic scheme for the description of the coupled electron and nuclear motions in the ozone molecule was proposed recently. An initial coherent nonstationary state was prepared as a superposition of the ground state and the excited…