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I. Bray

Publications and source records attributed to I. Bray.

15 recordsLinked to original sources

Double-$K$-hole resonances in single photoionization of He-like B$^{3+}$ ions

Within a joint experimental and theoretical research project, single photoionization of He-like B$^{3+}$ ions was investigated in the energy range from approximately 250 to 1200~eV. With the parent-ion beam in the experiment containing both $1s^2~^1S$ ground-state and $1s2s~^3S$ metastable B$^{3+}$ ions, double-core-hole resonances could be studied. Two series of hollow resonant states were observed, one populated by $K$-shell double excitation $1s^2~^1S \to 2\ell n\ell'~^1P$ ($\ell=s,p$; $\ell'=p,s$; $n=2,3,..,6$) at photon energies up to about 510~eV, the other by $K$-shell single excitation $1s2s~^3S \to 2\ell n\ell'~^3P$ ($\ell=s,p$; $\ell'=p,s$; $n=2,3,..,6$) at energies up to about 310~eV. High resolving powers up to approximately 29000 were achieved. The relativistic many-body perturbation theory was employed to determine level-to-level cross sections for $K$-shell excitation with subsequent autoionization. The resonance energies were calculated with inclusion of electron correlation and radiative contributions. The energy uncertainties of the most prominent resonances are estimated to be below $\pm 1$ meV. Convergent close coupling (CCC) calculations provided single-photoionization cross sections $\sigma_{34}$ for B$^{3+}$ including the resonant and non-resonant channels. Apart from the resonances, $\sigma_{34}$ is dominated by direct ionization in the investigated energy range. The contribution $\sigma_{34}^{\mathrm{dir}}$ of the latter process to $\sigma_{34}$ was separately determined by using the random-phase approximation with exchange and relativistic Hartree-Fock calculations which agree very well with previous calculations. Direct ionization of one electron accompanied by excitation of the remaining electron was treated by the CCC theory and found to be a minor contribution to $\sigma_{34}$.

physics.atom-ph

Benchmark Calculations of Electron Impact Electronic Excitation of the Hydrogen Molecule

We present benchmark integrated and differential cross-sections for electron collisions with H$_2$ using two different theoretical approaches, namely, the R-matrix and molecular convergent close-coupling (MCCC). This is similar to comparative studies conducted on electron-atom collisions for H, He and Mg. Electron impact excitation to the $b \ ^3\Sigma_u^+$, $a \ ^3\Sigma_g^+$, $B \ ^1\Sigma_u^+$, $c \ ^3\Pi_u$, $EF \ ^1\Sigma_g^+$, $C \ ^1\Pi_u$, $e \ ^3\Sigma_u^+$, $h \ ^3\Sigma_g^+$, $B' \ ^1\Sigma_u^+$ and $d \ ^3\Pi_u$ excited electronic states are considered. Calculations are presented in both the fixed nuclei and adiabatic nuclei approximations, where the latter is shown only for the $b \ ^3\Sigma_u^+$ state. Good agreement is found for all transitions presented. Where available, we compare with existing experimental and recommended data.

physics.chem-ph

Theoretical study of the direct $\alpha+d$ $\rightarrow$ $^6$Li + $\gamma $ astrophysical capture process in a three-body model II. Reaction rates and primordial abundance

The astrophysical S-factor and reaction rate of the direct capture process $\alpha+d$ $\rightarrow$ $^6$Li + $\gamma$, as well as the abundance of the $^6$Li element are estimated in a three-body model. The initial state is factorized into the deuteron bound state and the $\alpha+d$ scattering state. The final nucleus $^6$Li(1+) is described as a three-body bound state $\alpha+n+p$ in the hyperspherical Lagrange-mesh method. Corrections to the asymptotics of the overlap integral in the S- and D-waves have been done for the E2 S-factor. The isospin forbidden E1 S-factor is calculated from the initial isosinglet states to the small isotriplet components of the final $^6$Li(1+) bound state. It is shown that the three-body model is able to reproduce the newest experimental data of the LUNA collaboration for the astrophysical S-factor and the reaction rates within the experimental error bars. The estimated $^6$Li/H abundance ratio of $(0.67 \pm 0.01)\times 10^{-14}$ is in a very good agreement with the recent measurement $(0.80 \pm 0.18)\times 10^{-14}$ of the LUNA collaboration.

nucl-th

Inelastic e+Mg collision data and its impact on modelling stellar and supernova spectra

Results of calculations for inelastic e+Mg effective collision strengths for the lowest 25 physical states of Mg I (up to 3s6p 1P), and thus 300 transitions, from the convergent close-coupling (CCC) and the B-spline R-matrix (BSR) methods are presented. At temperatures of interest, ~5000 K, the results of the two calculations differ on average by only 4%, with a scatter of 27%. As the methods are independent, this suggests that the calculations provide datasets for e+Mg collisions accurate to this level. Comparison with the commonly used dataset compiled by Mauas et al. (1988), covering 25 transitions among 12 states, suggests the Mauas et al. data are on average ~57% too low, and with a very large scatter of a factor of ~6.5. In particular the collision strength for the transition corresponding to the Mg I intercombination line at 457 nm is significantly underestimated by Mauas et al., which has consequences for models that employ this dataset. In giant stars the new data leads to a stronger line compared to previous non-LTE calculations, and thus a reduction in the non-LTE abundance correction by ~0.1 dex (~25%). A non-LTE calculation in a supernova ejecta model shows this line becomes significantly stronger, by a factor of around two, alleviating the discrepancy where the 457 nm line in typical models with Mg/O ratios close to solar tended to be too weak compared to observations.

astro-ph.IM

An effective two-body model for spectra of clusters of ${}^2$H, ${}^3$H, ${}^3$He, and $^4$He with $^4$He, and $^2$H-$^4$He scattering

Four light-mass nuclei are considered by an effective two-body clusterisation method; $^6$Li as $^2$H$+^4$He, $^7$Li as $^3$H$+^4$He, $^7$Be as $^3$He$+^4$He, and $^8$Be as $^4$He$+^4$He. The low-energy spectrum of each is determined from single-channel Lippmann-Schwinger equations, as are low-energy elastic scattering cross sections for the $^2$H$+^4$He system. These are presented at many angles and energies for which there are data. While some of these systems may be more fully described by many-body theories, this work establishes that a large amount of data may be explained by these two-body clusterisations.

nucl-th

Solving close-coupling equations in momentum space without singularities for charged targets

The analytical treatment of the Greens function in the convergent close-coupling method [Bray et al. Comp. Phys. Comm. 203 147 (2016)] has been extended to charged targets. Furthermore, we show that this approach allows for calculation of cross sections at zero channel energy. For neutral targets this means the electron scattering length may be obtained from a single calculation with zero incident energy. For charged targets the non-zero excitation cross sections at thresholds can also be calculated by simply setting the incident energy to the exact threshold value. These features are demonstrated by considering electron scattering on H and He+.

physics.atom-ph

Recent progress in the description of positron scattering from atoms using the Convergent Close-Coupling Theory

Much progress in the theory of positron scattering on atoms has been made in the ten years since the review of Surko, Gribakin and Buckman [J. Phys. B 38, R57 (2005)]. We review this progress for few-electron targets with a particular emphasis on the two-centre convergent close-coupling and other theories which explicitly treat positronium (Ps) formation. While substantial progress has been made for Ps formation in positron scattering on few-electron targets, considerable theoretical development is still required for multielectron atomic and molecular targets.

physics.atom-ph

Theoretical study of the $α+d$ $\rightarrow$ $^6$Li + $γ$ astrophysical capture process in a three-body model

The astrophysical capture process $α+d$ $\rightarrow$ $^6$Li + $γ$ is studied in a three-body model. The initial state is factorized into the deuteron bound state and the $α+d$ scattering state. The final nucleus $^6$Li(1+) is described as a three-body bound state $α+n+p$ in the hyperspherical Lagrange-mesh method. The contribution of the E1 transition operator from the initial isosinglet states to the isotriplet components of the final state is estimated to be negligible. An estimation of the forbidden E1 transition to the isosinglet components of the final state is comparable with the corresponding results of the two-body model. However, the contribution of the E2 transition operator is found to be much smaller than the corresponding estimations of the two-body model. The three-body model perfectly matches the new experimental data of the LUNA collaboration with the spectroscopic factor 2.586 estimated from the bound-state wave functions of $^6$Li and deuteron.

nucl-th

Structure of $^{23}$Al from a multi-channel algebraic scattering model based on mirror symmetry

The proton-rich nucleus $^{23}$Al has a ground state just 123 keV below the proton drip-line, and as a result comparatively little is known experimentally about its properties, as with many such nuclei. Theoretical investigations have tended to model exclusively the ground and first one to three excited states known. In this paper, we theoretically model most of the known spectrum, and predict what states may as yet be unobserved. We use the multichannel algebraic scattering (MCAS) method to describe states as resonances of a valence proton coupled to a $^{22}$Mg rotor core. Six states with low-excitation energies and defined $J^\pi$ are matched, and we make the first prediction of the properties of four others and propound the possible existence of several more.

nucl-th

Importance of resonance widths in low-energy scattering of weakly-bound light-mass nuclei

What effect do particle-emitting resonances have on the scattering cross section? What physical considerations are necessary when modelling these resonances? These questions are important when theoretically describing scattering experiments with radioactive ion beams which investigate the frontiers of the table of nuclides, far from stability. Herein, a novel method is developed that describes resonant nuclear scattering from which centroids and widths in the compound nucleus are obtained when one of the interacting bodies has particle unstable resonances. The method gives cross sections without unphysical behavior that is found if simple Lorentzian forms are used to describe resonant target states. The resultant cross sections differ significantly from those obtained when the states in the coupled channel calculations are taken to have zero width, and compound-system resonances are better matched to observed values.

nucl-th

Ejection of quasi-free electron pairs from the helium atom ground state by single photon absorption

We investigate single photon double ionization (PDI) of helium at photon energies of 440 and 800 eV. We observe doubly charged ions with close to zero momentum corresponding to electrons emitted back-to-back with equal energy. These slow ions are the unique fingerprint of an elusive quasi-free PDI mechanism predicted by Amusia et al. nearly four decades years ago [J. Phys. B 8, 1248, (1975)] . It results from the non-dipole part of the electromagnetic interaction. Our experimental data are in excellent agreement with calculations performed using the convergent close coupling and time dependent close coupling methods.

physics.atom-ph

Scattering theory for arbitrary potentials

The fundamental quantities of potential scattering theory are generalized to accommodate long-range interactions. New definitions for the scattering amplitude and wave operators valid for arbitrary interactions including potentials with a Coulomb tail are presented. It is shown that for the Coulomb potential the generalized amplitude gives the physical on-shell amplitude without recourse to a renormalization procedure.

nucl-th

Electron-impact broadening of the 3s-3p lines in low-Z Li-like ions

The collisional electron-impact line widths of the 3s-3p transitions in Li-like ions from B III to Ne VIII are calculated with the convergent close-coupling (CCC) method from the atomic collision theory. The elastic and inelastic contributions to the line broadening and their Z-scaling are discussed in detail, and comparisons with recent experimental and theoretical results are also presented. It is found that similar to our previous study of line broadening in Be-like ions, the difference between experimental and CCC results monotonically increases with the spectroscopic charge of an ion.

physics.atom-ph

Integral cross sections for electron scattering by ground state Ba atoms

We have used the convergent close-coupling method and a unitarized first-order many-body theory to calculate integral cross sections for elastic scattering and momentum transfer, for excitation of the 5d^2 ^1S, 6s6p^1P_1, 6s7p^1P_1, 6s8p^1P_1, 6s5d^1D_2, 5d^2^1D_2, 6s6d^1D_2, 6p5d^1F_3, 6s4f^1F_3, 6p5d^1D_2, 6s6p^3P_{0,1,2}, 6s5d^3D_{1,2,3}, and 6p5d^3D_2 states, for ionization and for total scattering by electron impact on the ground state of barium at incident electron energies from 1 to 1000 eV. These results and all available experimental data have been combined to produce a recommended set of integral cross sections.

physics.atom-ph

Electron Impact Excitation Cross Sections for Hydrogen-Like Ions

We present cross sections for electron-impact-induced transitions n --> n' in hydrogen-like ions C 5+, Ne 9+, Al 12+, and Ar 17+. The cross sections are computed by Coulomb-Born with exchange and normalization (CBE) method for all transitions with n < n' < 7 and by convergent close-coupling (CCC) method for transitions with n < n' < 5 in C 5+ and Al 12+. Cross sections 1s --> 2s and 1s --> 2p are presented as well. The CCC and CBE cross sections agree to better than 10% with each other and with earlier close-coupling results (available for transition 1 --> 2 only). Analytical expression for n --> n' cross sections and semiempirical formulae are discussed.

atom-ph