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General formulas describing the multiple scattering of electron by polyatomic molecules have been derived within the framework of the model of non-overlapping atomic potentials. These formulas are applied to different carbon molecules, both for fixed-in-space and randomly oriented molecules., Comment: 16 pages

Angular dependence of photoemission time delay for the valence $np_{3/2}$ and $np_{1/2}$ subshells of Ar, Kr and Xe is studied in the dipole relativistic random phase approximation. Strong angular anisotropy of the time delay is reproduced near respective Cooper minima while the spin-orbit splitting affects the time delay near threshold.

The spatial distribution of electric charges forming a square well potential has been analyzed. It is shown that this potential is created by two concentric spheres with a double layer of charges. A C60 shell potential has been calculated under the assumption that it is formed by the averaged charge density of a neutral atom. It is further demonstrated that the phenomenological potentials simulating the C60 shell potential belong to a family of potentials with a non-flat bottom. Two possible types of C60 model potentials are proposed and their parameters have been calculated. AMS (MOS) Subject Classification. 62P35, 81V55, Comment: arXiv admin note: substantial text overlap with arXiv:1406.2165

The initial insight into time delay in Mn photoionization in the region of the $3p \to 3d$ giant autoionization resonance is gained in the framework of the "spin-polarized" random phase approximation with exchange. The dramatic effect of the giant autoionization resonance on time delay of photoemission from the $3d$ and $4s$ valence subshells of the Mn atom is unraveled. Strong sensitivity of the time delay of the $4s$ photoemission to the final-state term of the ion-remainder [${\rm Mn^{+}}(4s^{1},$$^{5}S)$ vs.~${\rm Mn^{+}}(4s^{1},$$^{7}S)$] is discovered. It is shown that photoionization time delay in the autoionizing resonance region is explicitly associated with the resonance lifetime, which can, thus, be directly measured in attosecond time delay experiments. Similar features are expected to emerge in photoionization time delays of other transition-metal and rare-earth atoms with half-filed subshells that possess giant autoionization resonances as well., Comment: 8 pages, 4 figures, 49 references

The effects of confinement resonances on photoelectron group delay (Wigner time delay) following ionization of an atom encapsulated inside a C$_{60}$ cage have been studied theoretically using both relativistic and non-relativistic random phase approximations. The results indicate clearly the resonant character of the confinement oscillations in time delay of the $4d$ shell of Xe@C$_{60}$ and present a most direct manifestation of Wigner time delay. These oscillations were missed in a previous theoretical investigation of Ar@C$_{60}$ [PRL 111, 203003 (2013)]

An analytical formula is developed to represent accurately the photoabsorption cross section of O I for all energies of interest in X-ray spectral modeling. In the vicinity of the Kedge, a Rydberg series expression is used to fit R-matrix results, including important orbital relaxation effects, that accurately predict the absorption oscillator strengths below threshold and merge consistently and continuously to the above-threshold cross section. Further minor adjustments are made to the threshold energies in order to reliably align the atomic Rydberg resonances after consideration of both experimental and observed line positions. At energies far below or above the K-edge region, the formulation is based on both outer- and inner-shell direct photoionization, including significant shake-up and shake-off processes that result in photoionization-excitation and double photoionization contributions to the total cross section. The ultimate purpose for developing a definitive model for oxygen absorption is to resolve standing discrepancies between the astronomically observed and laboratory measured line positions, and between the inferred atomic and molecular oxygen abundances in the interstellar medium from XSTAR and SPEX spectral models.

Partial photoionization cross sections from the ^1S ground and the ^3P metastable states of the Be isoelectronic series to different final states including a number of satellite (ionization plus excitation) channels are studied using the R-matrix method. As expected, the ratio of each satellite partial cross section to the dominant partial cross section is found to be a monotonic decreasing function of Z for both the ground and the metastable states. The complicated patterns of these ratios as functions of photon energy are analyzed., Comment: 19 pages, 9 figures

Near-threshold resonances have been studied for Be-like ions with a focus on overlapping resonances among Rydberg series converging to different thresholds. The behavior of the overlapping as a function of Z and the approach to the limit of infinite Z are investigated. The 4s4p resonance is shown and discussed in detail as an example., Comment: 13 pages, 1 table, 2 figures

The photoionization of the four-electron beryllium-like isoelectronic series from the neutral to Fe^{+22} has been studied for ground ^1S and metastable ^3P initial states. The wave functions of the final-state (target) ions were built using the CIV3 code. Both nonrelativistic LS-coupling R-matrix and relativistic Breit-Pauli (BP) R-matrix methods were used to calculate the cross sections in the photon-energy range between the first ionization threshold and the 1s^2 4f_{7/2} threshold for each ion. Our total cross sections compare well with experiment which is available for Be, B^+, C^{+2}, N^{+3}, and O^{+4}. The agreement between the present work and previous calculations is discussed in detail. The importance of relativistic effects is seen by the comparison between the LS and the BP results., Comment: 45 pages, 3 tables, 22 figures

A theoretical investigation of photoabsorption and photoionization of Fe^{14+} extending beyond an earlier frame transformation R-matrix implementation is performed using a fully-correlated, Breit-Pauli R-matrix formulation including both fine-structure splitting of strongly-bound resonances and radiation damping. The radiation damping of $2p\rightarrow nd$ resonances gives rise to a resonant photoionization cross section that is significantly lower than the total photoabsorption cross section. Furthermore, the radiation-damped photoionization cross section is found to be in good agreement with recent experimental results once a global shift in energy of $\approx -3.5$ eV is applied. These findings have important implications. Firstly, the presently available synchrotron experimental data are applicable only to photoionization processes and not to photoabsorption; the latter is required in opacity calculations. Secondly, our computed cross section, for which the L-shell ionization threshold is aligned with the NIST value, shows a series of $2p \rightarrow nd$ Rydberg resonances that are uniformly 3-4 eV higher in energy than the corresponding experimental profiles, indicating that the L-shell threshold energy values currently recommended by NIST are likely in error., Comment: 4 pages, 1 figures, and 2 tables

It is demonstrated that outer and inner electron shells, including that formed by collectivized electrons of the fullerene C60, affects dramatically the cross section of the subvalent ns-subshells of the noble gas endohedral atoms A@C60. The calculations are performed within the framework of a very simple, so-called "orange skin", model that makes it possible, in spite of its simplicity, to take into account the modification of the ns-subshell due to its interaction with inner and outer atomic shells, as well as with the collectivized electrons of the C60. As a concrete example, we consider the Xe 5s electrons completely collectivized by the powerful action of the Xe close and remote multi-electron neighboring shells., Comment: 8 pages, 2 figures

The nondipole parameters that characterize the angular disribution of the photoelectrons from the 3d subshell of Cs are found to be altered qualitatively by the inclusion of correlation in the form of interchannel coupling between the $3d_{3/2}$ and $3d_{5/2}$ photoionization channels. A prominent characteristic maximum is predicted only in the parameters for $3d_{5/2}$ photoionization, while the effect for $3d_{3/2}$ is rather weak. The results are obtained within the framework of the Generalized Random Phase Approximation with Exchange (GRPAE), which in addition to the RPAE effects takes into account the rearrangement of all atomic electrons due to the creation of a 3d vacancy.