We describe the computer codes, developed at Vilnius University, for the calculation of electron-impact excitation cross sections, collision strengths, and excitation rates in the plane-wave Born approximation. These codes utilize the multireference atomic wavefunctions which are also adopted to calculate radiative transition parameters of complex many-electron ions. This leads to consistent data sets suitable in plasma modelling codes. Two versions of electron scattering codes are considered in the present work, both of them employing configuration interaction method for inclusion of correlation effects and Breit-Pauli approximation to account for relativistic effects. These versions differ only by one-electron radial orbitals, where the first one employs the non-relativistic numerical radial orbitals, while another version uses the quasirelativistic radial orbitals. The accuracy of produced results is assessed by comparing radiative transition and electron-impact excitation data for neutral hydrogen, helium and lithium atoms as well as highly-charged tungsten ions with theoretical and experimental data available from other sources.
Electron-impact ionization of an atom or ion in the presence of a neighboring atom is studied. The latter is first collisionally excited by the incident electron, whose energy is assumed to be high but nonrelativistic. Afterwards, the excitation energy is transferred radiationlessly via a two-center Auger process to the other atom or ion, leading to its ionization. We show that the participation of the neighboring atom manifests in a very pronounced resonance peak in the energy-differential cross section and can substantially enhance the total cross section of electron-impact ionization. We al…
计算了类F W~LXVI的2s $^2$ 2 p $^5$，2s 2 p $^6$，2s $^2$ 2 p $^4$ 3 $\ell$，2s 2 p $^5$ 3 $\ell$，2 p $^6$ 3 $\ell$组态的113个能级间的电子碰撞激发碰撞强度.为此目的，狄拉克原子R-矩阵代码（DARC）已被采用，并列出了在1000至6000 Ryd的宽能量范围内的结果。为了比较的目的，也进行了类似的计算与灵活的原子代码（FAC），所获得的结果是可比的DARC。
In a recent paper, El-Maaref et al. [J. Quant. Spectrosc. Radiat. Transfer 2019, 224:147] have reported atomic data for Zn-like W~XLV. Their results are mainly for energy levels, radiative rates, collision strengths ($Ω$) for electron impact excitation, and cross sections for ionization, but for only for a few levels/transitions, and in a very limited range of energy. For the calculations of $Ω$ they have adopted the DARC code. In this comment, through our independent calculations, we demonstrate that their results for $Ω$ are highly underestimated by over two orders of magnitude, and hence ar…
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 calculated by using two state-of-the-art methods, namely, the multi-configuration Dirac-Hartree-Fock (MCDHF) approach and the second-order many-body perturbation theory (RMBPT). Our results are compared with several available experimental and other theoretical values. Electron-impact excitation (EIE) collision strengths are calculated via the independent process an…
Role of two-electron processes in the excitation-ionization of lithium atoms by fast ion impact
我们研究了1.5 MeV/amu O $^{8+}$ -Li碰撞系统中的激发和电离，该系统是最近反应显微镜型实验的主题[Fischer \textit{et al.}，Phys. Rev. Lett. \textbf{109}，113202（2012）]。本文从一个基于行列式波函数的独立电子模型出发，采用单电子基生成元方法和连续畸变波程函初态计算，证明了锂$K$壳层电子的单电离过程太弱，不能解释所测得的单微分截面。相反，我们的分析表明，双电子激发电离过程的发生，必须考虑到与数据进行比较时。只有当我们用一个独立事件模型代替独立电子计算的激发电离过程之一，并考虑到一个shake-off过程，才能得到良好的一致性。
We discuss lower-than-predicted collisional-excitation cross-sections for helium-like xenon measured at an Electron Beam Ion Trap facility. In a review paper (H. Chen and P. Beiersdorfer, Can. J. Phys. 86, 55 (2008)), the authors find a significant effect due to the Breit interaction between the free and the bound electrons in the excitation process of He-like xenon. The authors state that the agreement between the measured and calculated cross-section values can only be found when the generalized Breit interaction is included in the calculations. We have performed new calculations with a Mult…
A theoretical investigation of the dissociative excitation by electron impact on the NO molecule is presented, aiming to make up for the lack of data for this process in the literature. A full set of vibrationally-resolved cross sections and corresponding rate coefficients are calculated using the Local-Complex-Potential approach and five resonant states of NO^-.
We present a comprehensive study of electron collisions with calcium atoms by using the convergent \emph{B}-spline \emph{R}-matrix method. Elastic, excitation, and ionization cross sections were obtained for all transitions between the lowest 39 physical states of calcium (except for $3p^6 4s5g\ ^{3,1}G$) up to the $3p^6 4s8s\ ^1S$ state, for incident electron energies ranging from threshold to 100~eV. A multi\-configuration Hartree-Fock method with non\-orthogonal term-dependent orbitals was employed to generate accurate wave functions for the target states. Close-coupling expansions includin…
The optical emission spectrum of acetylene excited by monoenergetic electrons was studied in the range of 190 nm to 660 nm. The dissociative excitation and dissociative ionization associated with excitation of the ions initiated by electron impact were dominant processes contributing to the spectrum. The spectrum was dominated by the atomic lines H, C and molecular bands of CH, CH, CH+, and C2. Besides the discrete transitions, we have detected the continuum emission radiation of ethynyl radical C2H. For most important lines and bands of the spectrum we have measured absolute excitation-emissi…
Electron-impact excitation of N$^{3+}$ using the B-spline R-matrix method: Importance of the target structure description and the size of the close-coupling expansion
The Rydberg excitation blockade has been at the heart of an impressive array of recent achievements; however, state-mixing interactions can compromise its efficiency. When ultracold atoms are excited to Rydberg states near Förster resonance, up to $\sim 50\%$ of atoms can be found in dipole coupled product states within tens of ns after excitation. There has been disagreement in the literature regarding the mechanism by which this mixing occurs. We use state-selective field ionization spectroscopy to measure, on a shot-by-shot basis, the distribution of Rydberg states populated during narrowba…
Recently, El-Maaref {\it et al}\, [J. Phys. B 52(2019) 065202] have reported results for energy levels, radiative rates and collision strengths ($Ω$) for some transitions of Kr-like W~XXXIX. For the calculations of these parameters they have adopted several codes, including GRASP, DARC and FAC. For energy levels they have shown discrepancies of up to 1.64~Ryd between the GRASP and FAC calculations, whereas for $Ω$ the differences between the DARC and FAC results are over an order of magnitude for a few transitions. In addition, for several transitions there is an anomaly in the behaviour of $Ω…
Plasma models built on extensive atomic data are essential to interpreting the observed cosmic spectra. H-like Lyman series and He-like triplets observable in the X-ray band are powerful diagnostic lines to measure the physical properties of various types of astrophysical plasmas. Electron-impact excitation is a fundamental atomic process for the formation of H-like and He-like key diagnostic lines. Electron-impact excitation data adopted by the widely used plasma codes (AtomDB, CHIANTI, and SPEX) do not necessarily agree with each other. Here we present a systematic calculation of electron-im…
The spectra from Fe-peak elements may be used to determine the temperature and density of various astrophysical objects. Determination of these quantities is underpinned by the accuracy and the comprehensiveness of the underlying atomic structure and collisional calculations. In the following paper, we shall focus specifically on Ni IV lines associated with transitions amongst several low-lying levels. We shall employ modified versions of the parallel Dirac R-matrix codes, considering both electron-impact excitation of Ni$^{3+}$ and the photoionisation of both the ground and excited states of …
Neutral tungsten is the primary candidate as a wall material in the divertor region of the International Thermonuclear Experimental Reactor (ITER). The efficient operation of ITER depends heavily on precise atomic physics calculations for the determination of reliable erosion diagnostics, helping to characterise the influx of tungsten impurities into the core plasma. The following paper presents detailed calculations of the atomic structure of neutral tungsten using the multiconfigurational Dirac-Fock method, drawing comparisons with experimental measurements where available, and includes a cr…
Cross sections are presented for dissociative recombination and electron-impact vibrational excitation of the ArH+ molecular ion at electron energies appropriate for the interstellar environment. The R-matrix method is employed to determine the molecular structure data, i.e. the position and width of the resonance states. The cross sections and the corresponding Maxwellian rate coefficients are computed using a method based on the Multichannel Quantum Defect Theory. The main result of the paper is the very low dissociative recombination rate found at temperatures below 1000K. This is in agreem…
Tayal and Zatsarinny [Astrophys. J. 850 (2017) 147] have reported results for energy levels, radiative rates (A-values), lifetimes, and effective collision strengths ($Υ$) for transitions among 202 levels of C-like O~III. For the calculations they have adopted the multi-configuration Hartree-Fock (MCHF) code for the energy levels and A-values, and B-spline $R$-matrix (BSR) code for $Υ$. Their reported results cover a (much) larger range of levels/transitions than generally available in the literature, and appear to be accurate for energy levels and A-values. However, the magnitude and behaviou…
