Interference effects in the resonant photoemission channels to the Ne+ 2p(4)(1D2)3p 2P, 2D,and 2F states in the Ne 1s excitation region

We present measurements of total and partial photoionization cross sections of Ne in the 1s excitation region. The total cross section exhibits resonances with symmetric profiles, whereas the branching ratios to the Ne+ 2p(4)(1D2)3p 2P, 2D, and 2F states present strong oscillations in the interresonance regions. We prove that not only the interference between the direct and resonant ionization processes but also the interference among the ionization processes via different nonisolated resonances are important for this effect.     

F3+和Ne4+离子的光电离截面的理论计算

利用R矩阵方法计算了F³⁺和Ne⁴⁺离子的基态2s²2p²(³P)和激发态2s²2p² (¹D,¹S),2s2p³ (⁵S^o)的分波光电离截面、总光电离截面,分析辨认出了这些离子在自光电离过 关键词： 3+离子和Ne⁴⁺离子')" href="#">F³⁺离子和Ne⁴⁺离子 光电离 自电离共振 R矩阵')" href="#">R矩阵     

Theoretical study of photoionization of the isoelectronic sequence Rb<Superscript>+</Superscript>, Sr<Superscript>2+</Superscript>, and Y<Superscript>3+</Superscript>

The photoionization cross sections for the 4p shell of ions of the Kr isoelectronic sequence Rb⁺, Sr²⁺, and Y³⁺ are calculated. The configuration interaction theory and the perturbation theory are used to describe the many-electron effects. The relativistic effects are taken into account in the Pauli-Fock approximation. The calculated resonance structure of photoionization cross sections for the 4p shell in the region below the 4s threshold associated with the autoionization of the 4s-np singly excited states and the 4p4p-nln′l′ doubly excited states reproduces the results of recent measurements of total photoabsorption cross sections for the Rb⁺, Sr²⁺, and Y³⁺ ions. It is found that, as the nuclear charge in the isoelectronic sequence increases, the ratio between the direct and correlation parts of amplitudes of the 4s-(n/?)p transition changes and, as the consequence, the minimum of the photoionization cross section of the 4s shell shifts from the continuous spectrum to the region of states of discrete spectrum. This accounts for the strong changes in the shape of the 4s-np resonances in the photoionization cross sections for the 4p shell of Rb⁺, Sr²⁺, and Y³⁺, as well as the distinction between the shapes of the 4s-6p _1/2 mirror resonance in the partial 4p _1/2 and 4p _3/2 photoionization cross sections for the Y³⁺ ion which do not suppress each other in the total photoionization cross section, as is the case for similar resonances in Rb⁺ and Sr²⁺.     

F原子光电离截面的理论计算

对F原子的光电离截面,人们已经做了大量实验研究,并观察到了大量的自电离共振结构.而与实验相比,理论计算仍存在一定的差异.本文通过对靶态的能量进行修正,利用R矩阵方法计算了F原子基态在3P-1D电离阈值能量范围内的分波光电离截面、总光电离截面以及自电离共振2P4(1D)ns2D,2P4(1D)md2P和2P4(1D)md2D系列的共振位置,并与最新的多组态Hartree-Fock理论计算及实验结果进行了比较,我们的结果与实验符合得更好.     

Photoionization of synchrotron-radiation-excited atoms: separating partial cross sections by full polarization control

Resonant atomic excitation by synchrotron radiation and subsequent ionization by a tunable dye laser is used to study the photoionization of short-lived Rydberg states in Xe. By combining circular and linear polarization of the synchrotron as well as of the laser photons the partial photoionization cross sections were separated in the region of overlapping autoionizing resonances of different symmetry and the parameters of the resonances were extracted.     

Near-threshold photoionization from the excited mp<Superscript>5</Superscript>(m + 1)p J = 0−3 levels of Ar,Kr and Xe (m = 3−5)

Using the configuration interaction Pauli-Fock including core polarization (CIPFCP) approach we have calculated absolute total and partial cross sections for photoionization of excited mp ⁵(m + 1)p J = 0−3 levels in Ar, Kr and Xe (m = 3−5) near threshold. Particular emphasis is paid to the lineshapes of the odd mp _1/2⁵ n(s/d)′ autoionizing resonances and their variation with the character of the intermediate excited J = 0−3 state. For selected intermediate levels of Ar and Kr the computed cross sections are compared with laser spectroscopic measurements; good agreement between the theoretical and experimental lineshapes and branching ratios for different resonances is observed.     

Odd autoionizing 2p<Subscript>1/2</Subscript><Superscript>5</Superscript>n(s<Superscript>′</Superscript>/d<Superscript>′</Superscript>) resonances of Ne excited from the 2p<Superscript>5</Superscript>3p[K]<Subscript>J</Subscript> states

Absolute photoionization cross sections for Ne atoms in the excited levels (Paschen notation ) were calculated at near threshold energies within the configuration interaction Pauli-Fock approach including core polarization. The computed spectra and the lineshape parameters of the odd parity 2p_1/2 ⁵ns^′/d^′ autoionizing resonances are found to be in good agreement with high resolution laser spectroscopic results. Guided by the theoretical results, improved analyses of the measured spectra by superimposed Fano-type profiles were achieved. Theoretical predictions are presented for resonances which have not yet been studied experimentally. In addition, we report the absolute partial photoionization cross sections for the ²P_3/2 and ²P_1/2 channel at photoelectron energies up to 7 eV. Except for the highest lying 2p₁(¹S₀) level, these cross sections monotonically decrease with energy (as reported earlier in single-electron calculations for the Ne(2p⁵3p) configuration) with branching ratios which essentially reflect the core composition of the 2p_x levels. For the 2p₁ level the resonance structure and the partial cross sections are strongly influenced by a Cooper-Seaton minimum in the d_3/2 ^′ channel,located just above the ²P_1/2 ionization limit.     

温稠密等离子体中Al12+离子的光电离过程

本文采用多组态Dirac-Hartree-Fock方法研究了温稠密等离子体环境中Al12+离子的光电离过程. 等离子体效应采用SM屏蔽势来模拟(Stanton和Murillo在2015年提出). 计算中固定标度温度1.3eV，在强耦合等离子体环境下，研究了等离子体密度对能级，连续态波函数以及光电离截面的影响. 通过与相同等离子体条件下的Debye-Hückel模型势计算的光电离截面对比，发现两种模型对应的结果中未同时出现势形共振峰，这是由于本文采用的屏蔽模型包含等离子体简并、有限温度对动能的梯度修正和量子交换关联效应，对光电离截面的大小和共振结构具有显著影响.     

Photoionization cross sections of Fe XXI

Total and partial photoionization cross sections for (Fe XXI+hν→Fe XXII+e) are presented for the ground and excited bound states with n?10 and l?9. Fe XXI is prevalent in high-temperature astrophysical plasmas as well as in photoionized plasmas excited by hard X-rays. Results are reported for the first time for the high-energy photoionization with core excitations to n=2,3 states. Details of photoionization, especially the high-energy features that often dominate considerably over the low energy ones, are illustrated. These prominent features will affect the photoionization and the recombination rates in high-temperature plasmas. Calculations are carried out in the close coupling (CC) approximation using the R-matrix method. A large CC wavefunction expansion for Fe XXII which includes the ground and 28 excited core states from n=2 and 3 complexes and spans over a wide energy range is used. A total of 835 discrete bound states of Fe XXI in the singlet, triplet, and quintet symmetries are obtained. Total photoionization cross sections, σ_PI(nLS), for ionization into all 29 states are presented for all 835 final bound states and partial photoionization cross sections, σ_PI(g,nLS), for ionization into the ground ²P⁰ state of the core are presented for 685 states. While the n=2 core excitations are at relatively lower energy range (within 15 Ry from the ionization threshold), the n=3 excitations lie at considerably higher energy, 73 Ry and above, yet introduce resonant features and enhancements more prominent than those of n=2 states. Larger numbers of resonances are formed due to Rydberg series of autoionizing states converging on to the 29 core states. However, most noticeable structures are formed in the excited state cross sections by the photoexcitation-of-core (PEC) resonances in the photon energy range of 73-82 Ry. All these high-energy features are absent in the currently available results. The present results should enable more accurate modeling of the emission spectrum of highly excited plasma from the optical to far-ultraviolet region.     

Elastic Collisions Between two Ground-State P and D Atoms at Low and Ultralow Temperatures

The PD（X^3∑^-） interaction potential is constructed using the CCSD（T） theory and the basis set, augcc-pV5Z. Using this potential, the spectroscopic parameters are accurately determined. The present Do, De, Re, ωe, ωeχe, αe, and Be are of 3.056 99 eV, 3.161 75 eV, 0.142 39 nm, 1701.558 cm^-1, 23.6583 cm^-1, 0.085 99 cm^-1, and 4.3963 cm^-1, respectively, which almost perfectly conform with the measurements. A total of 26 vibrational states is predicted when J = 0 by solving the radial Sehrodinger equation of nuclear motion. The complete vibrational levels, classical turning points, initial rotation and centrifugal distortion constants when J = 0 are reported for the first time, which favorably agree with the experiments. The total and various partial-wave cross sections are calculated for the elastic impact between two ground-state P and D atoms at 1.0 × 10^-12 - 1.0 × 10^-4 a.u. when they approach each other along the PD（X^3∑^-） potential. No shape resonances exist in the total elastic cross sections, though the peaks can be found for each partial wave until l=6. The shape of the total elastic cross sections is dominated by the s partial wave at very low temperatures. Due to the weakness of the shape resonances of each partial wave, they are all passed into oblivion by the strong total elastic cross sections.     

Photoionization of the excited He atom in Debye plasmas

We present theoretical photoionization cross sections for He 1s2s ¹S and He 1s2p ¹P states in a Debye plasma environment by the complex coordinate rotation method, using a finite L² basis set constructed from one electron Laguerre orbitals. The plasma environment is found to appreciably influence the photoionization cross sections near the ionization threshold. In this regard, the photoionization cross sections of isolated He are compared with other theoretical and experimental results. Our results are in good agreement with the previous results. A new minimum appears in the photoionization cross section curve for the metastable 1s2s ¹S state. Results are given for the S- and D-wave partial photoionization for the excited 1s2p ¹P state.     

Fits to new calculations of photoionization cross sections for low-Z elements

Analytical approximations to results of new calculations of partial (i.e. by subshell) photoionization cross sections of elements (2 < Z < 30, Z = 36) are presented which cover the photon energy range from near threshold to 300 keV. The computer program developed by Brysk and Zerby, which is based on the single-electron model and uses screened self-consistent field and Dirac-Slater wave function data furnished by Cromer, Waber and Liberman, was used. Sufficient multipoles were included to calculate the partial cross sections within a few per cent, on the assumed model. Results for several elements are compared with other calculations and measurements of total photoionization cross sections. The results are presented in a form most convenient for calculations of opacities of hot gases.     

CII的光电离截面的理论计算

 使用R-矩阵方法,对CII基态的光电离截面进行了六态和十态的密耦计算,得到了入射光子能量从1.8Ry到4.3Ry的总光电离截面,长度与速度表示符合很好。计算得到的截面包含了复杂的共振结构。与由英法等国联合开展的不透明度工程的理论计算结果进行了比较,两者在电离阈附近符合得比较好。计算表明,收敛于较高电离阈的共振系列对收敛于较低电离阈的共振系列有较大的干扰。由分波和电离后处于特定靶态的光电离共振峰的位置可确定CII单双高激发态能级的位置。     

铜原子单激发态3d104p 2P1/2的光电离(英文)

铜原子能级结构的理论计算具有非常大的挑战性。本文基于多组态Dirac-Hartree-Fock（MCDHF）方法和相对论组态相互作用（RCI）方法,通过三个大规模的关联模型计算了单激发态3d104p 2P_1/2、双激发态3d94s（3D）5s4D_3/2,1/2,3d94s（3D）5s 2D_3/2,3d94s（1D）5s 2D_3/2以及离子态3d10 1S₀能级和波函数。结果表明,铜原子能级结构对有限组态空间的选择极其敏感,双激发态3d94s（3D）5s 4D_3/2,1/2,3d94s（3D）5s 2D_3/2,3d94s（1D）5s 2D_3/2和离子态3d10 1S₀与单激发态之间的能量差相对于已有实验结果均存在大约-0.4 eV的偏差,而计算得到的共振电子能量与实验结果符合得较好。此外,根据辐射跃迁矩阵元和非辐射跃迁矩阵元计算了双激发态的Fano参数q,并基于Fano理论得到了铜单激发态3d104p 2P_1/2的总光电离截面,该理论考虑了直接光电离与光激发自电离之间的干涉效应,即共振3d94s（3D）5s 4D_3/2,1/2、3d94s（3D）5s 2D_3/2和3d94s（1D）5s 2D_3/2具有明显的非对称的Fano轮廓,表明光电离过程与光激发自电离过程之间的干涉对双激发态共振附近的光电离截面轮廓有着极其重要的影响。     

Calculation of the cross sections for the photoionization of H2 and D2 into different vibrational states of the ion

The dependence of the electronic transition moment on the internuclear distance is explicitly taken into account in the calculation of the photoionization cross section. Thus, the partial ionization cross sections for producing different vibrational states of the residual ion are obtained without invoking the Franck-Condon factor approximation. The exact electrostatic potential of H₂⁺, as well as the two-center Coulomb field, is used in the evaluation of the continuum wave function. The result can explain fairly well the ratios of the partial cross sections measured at 584 Å. The effect of the polarization of H₂⁺ due to the departing photoelectron is also studied and found to be small as far as the relative cross section is concerned. The total photoionization cross sections of H₂ and D₂ are compared with previous results obtained by other authors.     

Interference effects on the photoionization cross sections between two neighbouring atoms: nitrogen as an example

Interference effects on the photoionization cross sections between two neighbouring atoms are considered based on the coherent scattering of the ionized electrons by the two nuclei when their separation is less than or comparable to the de Broglie wave length of the ionized electrons. As an example, the single atomic nitrogen ionization cross section and the total cross sections of two nitrogen atoms with coherently added photoionization amplitudes are calculated from the threshold to about 60~\AA (1~\AA=0.1~nm) of the photon energy. The photoionization cross sections of atomic nitrogen are obtained by using the close-coupling R-matrix method. In the calculation 19 states are included. The ionization energy of the atomic nitrogen and the photoionization cross sections agree well with the experimental results. Based on the R-matrix results of atomic nitrogen, the interference effects between two neighbouring nitrogen atoms are obtained. It is shown that the interference effects are considerable when electrons are ionized just above the threshold, even for the separations between the two atoms are larger than two times of the bond length of N₂ molecules. Therefore, in hot and dense samples, effects caused by the coherent interference between the neighbours are expected to be observable for the total photoionization cross sections.     

Electron-ion recombination and photoionization of Fe XXI

Results for electron-ion recombination and photoionization of , with emphasis in high-temperature region, are presented from ab initio unified method. The unified method, based on close coupling (CC) approximation and R-matrix method, (i) subsumes both the radiative recombination (RR) and dielectronic recombination (DR), (ii) enables self-consistent sets of photoionization and recombination cross sections from using an identical wavefunction for both the processes, and (iii) provides state-specific recombination rates of a large number of bound states. A large CC wavefunction expansion, which includes the ground and 28 core excitations of n=2 and 3 complexes and span a wide energy range, has been used. Compared to Δn=2-2, Δn=2-3 core excitations are found to introduce strong resonant structures and enhance the background photoionization cross sections (σ_PI) in the high-energy region. These features along with prominent photoexcitation-of-core (PEC) resonances at n=3 core thresholds have increased the unified total recombination rate coefficients (α_R(T)) at temperatures , region of maximum abundance of the ion in collisional equilibrium, by a factor of 1.6 over previous calculations. State-specific recombination rate coefficients α_R(nLS), which include both the RR and DR, are presented for the first time for 685 bound states with n?10 and l?9. The unified total recombination rate with photoelectron energy α_R(E) is presented and the role of low-energy near-threshold fine structure resonances is illustrated. The present results should provide a reasonably complete self-consistent set of recombination rates and photoionization cross sections for astrophysical modelings of high-temperature plasmas from optical to far-ultraviolet wavelength regions.     

Effects of screened Coulomb (Yukawa) and exponential-cosine-screened Coulomb potentials on photoionization of H and He+

The screening effects due to the exponential-cosine-screened Coulomb and screened Coulomb (Yukawa) potentials on photoionization processes are explored within the framework of complex coordinate rotation method. The energy levels of H and He⁺ in both screened potentials shifted with various Debye screening lengths are presented. The photoionization cross sections illustrate the considerable screening effects on photoionization processes in low energy region. The shape resonances can be found near ionization thresholds for certain of Debye screening lengths. The relations between the appearance of resonances and the existence of quasi-bound states under shielding conditions are discussed.     

On the strong influence of inner shell resonances upon the outer shell photoionization of endohedral atoms

It is demonstrated by the example of the Xe atom stuffed inside the C₆₀ fullerene, i.e., the endohedral Xe@C₆₀, that the so-called confinement resonances in 4d subshell strongly affect the photoionization cross section of outer 5p and subvalent 5s electrons near the 4d ionization threshold. It is a surprise that these narrow inner 4d shell resonances are not smeared out in the outer shell photoionization cross section. On the contrary; the inner shell resonances affect the outer cross section by enhancing them enormously. Close to its own photoionization thresholds, 5p and 5s photoionization cross sections of Xe@C₆₀ are dominated by their own confinement resonances greatly affected by the amplification of the incoming radiation intensity due to polarization by it of the C₆₀ electron shell. Between 4d and 5p thresholds, the effect of 4d is becoming stronger while own resonances of 5p and 5s are becoming much less important.     

Near-threshold electron-impact ionization of calcium atoms

The electron-impact ionization of calcium atoms is studied in the near-threshold energy range (from 6.11 to 16 eV). Experiments were performed by the method of intersecting electron and atomic beams with the recording of formed positive calcium ions. The electron beam (ΔE _1/2 = 0.15 eV) was formed using a hypocycloidal electron monochromator. An analysis of the specific features of ionization cross sections revealed a contribution from the excitation and decay of low-lying autoionization atomic states, which converge to the excitation thresholds of the 3d, 4p, and 5s ionic levels, and resonances (long-lived states of negative ions). The specific features of cross sections are identified using the experimental and theoretical data on photoionization (photoabsorption).