Program to calculate pure angular momentum coefficients in jj-coupling

A program for computing pure angular momentum coefficients in relativistic atomic structure for any scalar one- and two-particle operator is presented. The program, written in Fortran 90/95 and based on techniques of second quantization, irreducible tensorial operators, quasispin and the theory of angular momentum, is intended to replace existing angular coefficient modules from GRASP92. The new module uses a different decomposition of the coefficients as sums of products of pure angular momentum coefficients, which depend only on the tensor rank of the interaction but not on its details, with effective interaction strengths of specific interactions. This saves memory and reduces the computational cost of big calculations signficantly

Scattering of twisted relativistic electrons by atoms

The Mott scattering of high-energetic twisted electrons by atoms is investigated within the framework of the first Born approximation and Dirac's relativistic equation. Special emphasis is placed on the angular distribution and longitudinal polarization of the scattered electrons. In order to evaluate these angular and polarization properties we consider two experimental setups in which the twisted electron beam collides with either a single well-localized atom or macroscopic atomic target. Detailed relativistic calculations have been performed for both setups and for the electrons with kinetic energy from 10 keV to 1000 keV. The results of these calculations indicate that the emission pattern and polarization of outgoing electrons differ significantly from the scattering of plane-wave electrons and can be very sensitive to the parameters of the incident twisted beam. In particular, it is shown that the angular- and polarization-sensitive Mott measurements may reveal valuable information about, both the transverse and longitudinal components of the linear momentum and the projection of the total angular momentum of twisted electron states. Thus, the Mott scattering emerges as a diagnostic tool for the relativistic vortex beams.Comment: 12 pages, 4 figure

Angular distribution studies on the two-photon ionization of hydrogen-like ions: Relativistic description

The angular distribution of the emitted electrons, following the two-photon ionization of the hydrogen-like ions, is studied within the framework of second order perturbation theory and the Dirac equation. Using a density matrix approach, we have investigated the effects which arise from the polarization of the incoming light as well as from the higher multipoles in the expansion of the electron--photon interaction. For medium- and high-Z ions, in particular, the non-dipole contributions give rise to a significant change in the angular distribution of the emitted electrons, if compared with the electric-dipole approximation. This includes a strong forward emission while, in dipole approxmation, the electron emission always occurs symmetric with respect to the plane which is perpendicular to the photon beam. Detailed computations for the dependence of the photoelectron angular distributions on the polarization of the incident light are carried out for the ionization of H, Xe$^{53+}$, and U$^{91+}$ (hydrogen-like) ions.Comment: 16 pages, 4 figures, published in J Phys

Parametrization of the angular correlation and degree of linear polarization in two-photon decays of hydrogen-like ions

The two-photon decay in hydrogen-like ions is investigated within the framework of second order perturbation theory and Dirac's relativistic equation. Special attention is paid to the angular correlation of the emitted photons as well as to the degree of linear polarization of one of the two photons, if the second is just observed under given angles. Expressions for the angular correlation and the degree of linear polarization are expanded in terms of $\cos\theta$-polynomials, whose coefficients depend on the atomic number and the energy sharing of the emitted photons. The effects of including higher (electric and magnetic) multipoles upon the emitted photon pairs beyond the electric-dipole approximation are also discussed. Calculations of the coefficients are performed for the transitions $2s_{1/2}\rightarrow1s_{1/2}$, $3d_{3/2}\rightarrow1s_{1/2}$ and $3d_{5/2}\rightarrow1s_{1/2}$, along the entire hydrogen isoelectronic sequence ($1\le Z \le 100$)

Relativistic and retardation effects in the two--photon ionization of hydrogen--like ions

The non-resonant two-photon ionization of hydrogen-like ions is studied in second-order perturbation theory, based on the Dirac equation. To carry out the summation over the complete Coulomb spectrum, a Green function approach has been applied to the computation of the ionization cross sections. Exact second-order relativistic cross sections are compared with data as obtained from a relativistic long-wavelength approximation as well as from the scaling of non-relativistic results. For high-Z ions, the relativistic wavefunction contraction may lower the two-photon ionization cross sections by a factor of two or more, while retardation effects appear less pronounced but still give rise to non-negligible contributions.Comment: 6 pages, 2 figure

Extension of nano-confined DNA: quantitative comparison between experiment and theory

The extension of DNA confined to nanochannels has been studied intensively and in detail. Yet quantitative comparisons between experiments and model calculations are difficult because most theoretical predictions involve undetermined prefactors, and because the model parameters (contour length, Kuhn length, effective width) are difficult to compute reliably, leading to substantial uncertainties. Here we use a recent asymptotically exact theory for the DNA extension in the "extended de Gennes regime" that allows us to compare experimental results with theory. For this purpose we performed new experiments, measuring the mean DNA extension and its standard deviation while varying the channel geometry, dye intercalation ratio, and ionic buffer strength. The experimental results agree very well with theory at high ionic strengths, indicating that the model parameters are reliable. At low ionic strengths the agreement is less good. We discuss possible reasons. Our approach allows, in principle, to measure the Kuhn length and effective width of a single DNA molecule and more generally of semiflexible polymers in solution.Comment: Revised version, 6 pages, 2 figures, 1 table, supplementary materia

Relativistic total cross section and angular distribution for Rayleigh scattering by atomic hydrogen

We study the total cross section and angular distribution in Rayleigh scattering by hydrogen atom in the ground state, within the framework of Dirac relativistic equation and second-order perturbation theory. The relativistic states used for the calculations are obtained by making use of the finite basis set method and expressed in terms of B-splines and B-polynomials. We pay particular attention to the effects that arise from higher (non-dipole) terms in the expansion of the electron-photon interaction. It is shown that the angular distribution of scattered photons, while it is symmetric with respect to the scattering angle $\theta$=90$^\circ$ within the electric dipole approximation, becomes asymmetric when higher multipoles are taken into account. The analytical expression of the angular distribution is parametrized in terms of Legendre polynomials. Detailed calculations are performed for photons in the energy range 0.5 to 10 keV. When possible, results are compared with previous calculations.Comment: 8 pages, 5 figure

Electron-ion recombination of Si IV forming Si III: Storage-ring measurement and multiconfiguration Dirac-Fock calculations

The electron-ion recombination rate coefficient for Si IV forming Si III was measured at the heavy-ion storage-ring TSR. The experimental electron-ion collision energy range of 0-186 eV encompassed the 2p(6) nl n'l' dielectronic recombination (DR) resonances associated with 3s to nl core excitations, 2s 2p(6) 3s nl n'l' resonances associated with 2s to nl (n=3,4) core excitations, and 2p(5) 3s nl n'l' resonances associated with 2p to nl (n=3,...,infinity) core excitations. The experimental DR results are compared with theoretical calculations using the multiconfiguration Dirac-Fock (MCDF) method for DR via the 3s to 3p n'l' and 3s to 3d n'l' (both n'=3,...,6) and 2p(5) 3s 3l n'l' (n'=3,4) capture channels. Finally, the experimental and theoretical plasma DR rate coefficients for Si IV forming Si III are derived and compared with previously available results.Comment: 13 pages, 9 figures, 3 tables. Accepted for publication in Physical Review