Related papers: Origin-independent calculation of quadrupole inten…
We study the electric quadrupole (E2) contribution to resonant x-ray scattering (RXS). Under the assumption that the rotational invariance is preserved in the Hamiltonian describing the intermediate state of scattering, we derive a useful…
We study the convergence of bound-state quadrupole moments in finite harmonic oscillator spaces. We derive an expression for the infrared extrapolation for the quadrupole moment of a nucleus and benchmark our results using different model…
The theory of hyper-Rayleigh scattering optical activity (HRS-OA) spectroscopy has previously been described within the length formulation of the pure electric-dipole and mixed (electric-dipole/magnetic-dipole and…
We develop a simple tensorial contraction method to obtain analytical formula for X-ray resonant magnetic scattering. We apply the method considering first electric dipole-dipole and electric quadrupole-quadrupole scattering in the isolated…
The influence of oscillating quadrupole fields on atomic energy levels is examined theoretically and general expressions for the quadrupole matrix elements are given. The results are relevant to any ion-based clock in which one of the clock…
In existing theoretical approaches to core-level excitations of transition-metal ions in solids relaxation and polarization effects due to the inner core hole are often ignored or described phenomenologically. Here we set up an ab initio…
Natural optical activity is the paradigmatic example of an effect originating in the weak spatial inhomogeneity of the electromagnetic field on the atomic scale. In molecules, such effects are well described by the multipole theory of…
The time evolution of the electron density and the resulting time dependence of X-ray diffraction peak intensity in a crystal irradiated by highly intense femtosecond pulses of an XFEL is investigated theoretically on the basis of rate…
X-ray absorption spectroscopy (XAS) is a powerful experimental technique to probe the local order in materials with core electron excitations. Experimental interpretation requires supporting theoretical calculations. For water, these…
An efficient first principles approach to calculate X-ray magnetic circular dichroism (XMCD) and X-ray natural circular dichroism (XNCD) is developed and applied in the near edge region at the K-and L1-edges in solids. Computation of…
We demonstrate that the angular distribution of electrons knocked out from an atom by a fast charge particle is determined not only by dipole but also by quadrupole transitions, the contribution of which can be considerably enhanced as…
We study an atomic comagnetometer design based on the spin precessions of $^{129}$Xe and $^{131}$Xe atoms in glass cells. The quadrupole splittings in the precession spectrum of $^{131}$Xe are fully resolved, allowing a precise…
We use the nuclear density functional theory to determine nuclear electric quadrupole and magnetic dipole moments in all one-particle and one-hole neighbours of eight doubly magic nuclei. We align angular momenta along the intrinsic…
The potential-energy and quadrupole-moment functions of the H$_2$ ground electronic state are well known in literature (Komasa et al., 2019; Wolniewicz et al., 1998), and the line list of the vibrational-rotational transitions was…
X-ray absorption spectroscopy is a well established tool for obtaining information about orbital and spin degrees of freedom in transition metal- and rare earth-compounds. For this purpose usually the dipole transitions of the L- (2p to 3d)…
The multipole expansion is a key tool in the study of light-matter interactions. All the information about the radiation of and coupling to electromagnetic fields of a given charge-density distribution is condensed into few numbers: The…
We have used element specific X-ray resonant scattering to investigate the M edge resonances in a single crystal of \unpo. Earlier neutron diffraction and M\"{o}ssbauer studies had shown the presence of long-range AF order below T$_{N}$ =…
Energy levels and transition rates for electric-dipole, electric-quadrupole, electric-octupole, magnetic-dipole, and magnetic-quadrupole transitions among the levels arising from the $n\ \leq$ 5 configurations in B-like Kr XXXII are…
We develop a formalism to calculate the L-edge resonant x-ray scattering (RIXS) spectra from transition-metal compounds. Using a multi-orbital tight-binding model, we derive useful formulas to calculate the spectra by collecting up the…
Large-scale $\textit{ab initio}$ calculations of the electric field gradient, which constitutes the electronic contribution to the electric quadrupole hyperfine constant $B$, were performed for the $5s^25p6s$ $^{1,3}\!P^{\rm o}_1$ excited…