Theoretical determination of oscillator strengths for the principal series of rubidium-like ions by the Dirac-Fock method

A simple formula that allows the determination of the oscillator strengths for all transitions of principal series of the Rb-like ions is obtained from the relationship between the oscillator strengths and the corresponding photoionization cross sections. The photoionization cross sections are calculated by the Dirac-Fock method with allowance for the retardation and approximated by an analytic formula. The data for ten ions of the rubidium isoelectronic sequence (from Sr⁺ to Ag¹⁰⁺) are presented. Two types of gauges corresponding to the transition operators in length and velocity forms are considered.     

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⁺.     

Systematic theoretical study of dielectronic recombination for helium-like isoelectronic sequence

Dielectronic recombination cross sections and rate coefficients of He-like isoelectronic sequence are systematically calculated employing the relativistic Flexible Atomic Code (FAC). The calculated DR resonance strengths, cross sections and rate coefficients are in good agreement with other experimental and theoretical results. The effects of radiative cascades on DR cross sections and the variation of DR branching ratio with different DR resonance and atomic numbers Z are studied. The n⁻³ scaling law is also checked and used to extrapolate rate coefficients. And analytic formulas are used to fit the total rate coefficients with respect to both T and Z for helium-like isoelectronic sequence.     

Double photoionization of C2+

The time-dependent close-coupling method is used to study the single photon double ionization of C²⁺ in support of possible experiments at FLASH/DESY using an EBIT. Energy and angle differential cross sections are calculated to fully investigate the correlated motion of the two photoelectrons. Single energy differential as well as total cross sections are calculated for different incident photon energies in the range of 125–225 eV. Good agreement is found between our results and available R-matrix results for the double ionization of C²⁺. The study is also extended to the double photoionization along the Be-like isoelectronic sequence (Be-F⁵⁺), where good agreement is found when compared with available theoretical calculations and experimental measurements.     

Photoionization cross sections for isoelectronic sequences of Ne,Ne+, Ne++

The evolution of the behaviour of photoionization cross sections relative to 2p subshell inside some isoelectronic sequences (Ne, Ne⁺, Ne⁺⁺) is pointed out, using a single electron model, with a central and non Coulombian potential.     

Single photoeffect on helium-like ions in the non-relativistic region

We present a generalization of the pioneering results obtained for single K-shell photoionization of H-like ions by M. Stobbe [M. Stobbe, Ann. Phys. 7 (1930) 661] to the case of the helium isoelectronic sequence. The total cross section of the process is calculated, taking into account the correlation corrections to first order of the perturbation theory with respect to the electron–electron interaction. Predictions are made for the entire non-relativistic energy domain. The phenomenon of dynamical suppression of correlation effects in the ionization cross section is discussed.     

Calculation of atomic and molecular photoionization cross sections using the ground state inversion potential method

Calculations of atomic photoionization cross sections to near Hartree-Fock accuracy can be achieved very simply if the non-local Hartree-Fock potential experienced by the photoelectron is replaced by a local potential obtained by inversion of the corresponding ground state orbital. Subshell cross sections for atomic photoionizatim for representative atoms in the range 0–1500 eV calculated in this way are in good general agreement with Hartree-Fock values and with experiment. The extension to molecular systems and the use of an independent atomic centre approach to calculation of molecular photoionization cross sections at low photon energies is outlined.     

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.     

Ionization of ytterbium atoms from an excited state

The cross sections of the photoionization and the electron impact-induced ionization of Yb atoms from the excited 6s6p(³ P ₁) state are numerically calculated. Matrix elements are computed in multielectron relativistic and nonrelativistic approximations with allowance for the superposition of configurations and a relaxation effect. The radial part of the electron wavefunction in a continuous spectrum is calculated using the solutions to one-configuration Hartree-Fock and Dirac-Fock equations. The cross sections calculated by a relativistic method are compared to those for a nonrelativistic approximation. The ratios of the radiation reduced matrix elements and the phase shifts of the wavefunctions of a continuous spectrum calculated for the 6p ɛs and 6p → ɛd transitions are compared to the values obtained by approximating the experimental dependences of the angular distribution of photoelectrons for the photoionization by ultraviolet radiation from an oriented excited state.     

X-ray photoionization cross sections for quantitative analysis

The relative photoemission intensities from subshells of 51 elements and simple compounds have been measured using X-ray photoelectron spectroscopy. The chemical composition of each specimen surface was monitored by Auger electron spectroscopy and contamination was minimized by Ar⁺ ion bombardment. Experimental photoelectron cross sections derived for MgKα (1254 eV) radiation were compared with theoretical Hartree-Slater subshell photoionization cross sections calculated by Scofield. Good correlation (r = 0.96) between theory and experiment was observed over two orders of magnitude for most of the elements studied. Relative cross sections for subshells of a given element are also consistent with theoretical values, with several notable exceptions. The results indicate that quantitative analysis of ESCA spectra is possible using the Scofield cross sections.     

Measurement of Photoionization Cross Sections of the Excited States of Titanium

实验研究了钛原子在293～321 nm波段的共振增强多光子电离. 采用激光烧蚀和超声射流相结合的实验技术来制备自由原子,由飞行时间质谱仪实现对钛原子光电离产物的检测. 从离子信号强度对和激光强度的依赖关系导出了钛原子价电子激发态的光电离截面. 实验测量的一些激发态光电离截面在0.2～6.0 Mb. 通过对⁴⁶Ti、⁴⁷Ti、⁴⁸Ti的光电离截面测量研究,没有发现明显的同位素依赖性.     

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.     

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.     

Double K-shell photoionization of low-Z atoms and He-like ions

We report on the investigation of the photon energy dependence of double 1s photoionization of light atoms and compare the cross sections for hollow atom and He-like ion production. Measurements of the Kα hypersatellite x-ray spectra of Mg, Al, and Si were carried out using the Fribourg high-resolution x-ray spectrometer installed at the ID21 and ID26 beam lines at the ESRF. The double-to-single photoionization cross section ratios were derived as a function of the incident photon beam energy and compared to convergent close-coupling (CCC) calculations for He-like ions. The dynamical electron-electron scattering contribution to the DPI cross-sections was found to be more important for neutral atoms than for the He isoelectronic series.     

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     

Calculation of the photoionization cross section of the 4d10 subshell of the La atom

The photoionization cross section of 4d¹⁰ subshell of La atom is calculated. The cross section curve near its threshold is strongly modified by rearrangement of outer shells in the process of photoionization.     

光电过程原子能级截面大量计算的实现

在ＨＦＲ方法的基础上，考虑束缚组态间的相互作用，解决了Ｃｏｗａｎ程序光电计算过程中小能量区间误差偏大及一次计算自由电子能量范围受限制的问题，确定了阈能点的计算方式，从而使大量计算成为可能．分析证明了计算结果的正确性并估计了计算精度．并对锂、钠与铯原子计算的结果与参考文献做了比较，从理论上分析了能极水平光电截面求和后的结果与轨道水平光电截面的过渡关系与差别．     

等电子系列离子的广义振子强度密度之标度关系

利用Born近似可以计算高能电子与原子或离子碰撞激发的微分截面和总截面。微分截面正比于广义振子强度。电子碰撞过程可将靶原子或离子激发到无数个束缚态以及相应的连续态。量子亏损理论能够统一处理这些激发态;因此可定义广义振子强度密度——即每单位激发能内的广义振子强度。我们计算了Li的等电子系列Li,Be⁺,B⁺⁺,C³⁺,Ne⁷⁺,Na⁸⁺,K¹⁶⁺等从基态到S,P,D,F通道的激发的广义振子强度密度,总结了类Li等电子系列离子的广义振子强度密度的标度关系。 关键词：     

Photoionization cross section and oscillator strength distribution in the near-threshold region of strontium

We present experimentally measured absolute values of the photoionization cross sections from the 5s5p ¹P₁ and 5s5p ³P₁ excited states of strontium at the first ionization threshold as 11.4±1.8 Mb and 10.7±1.7 Mb respectively using saturated absorption technique along with a thermionic diode ion detector in conjunction with a Nd:YAG pumped dye laser system. These threshold photoionization cross sections values have been utilized to determine the oscillator strengths of the 5s5p ¹P₁↦5snd ¹D₂ and 5s5p ³P₁↦5snd ³D₂ Rydberg transitions. The oscillator strength densities in the continuum corresponding to the 5s5p ³P₁ excited state have also been determined by measuring the photoionization cross sections at five ionizing wavelengths above the first ionization threshold. Smooth merging of the discrete f-values into the oscillator strength densities has been observed for the 5s5p ³P₁↦5snd ³D₂ series across the ionization threshold.     

锂原子激发态光电离的R—矩阵计算

使用Ｒ－矩阵方法,采用三态密耦图象计算了锂原子激发态１ｓ＾２２ｐ＾２Ｐ的光电离截面,并给出了不同分波及不同过程的截面,计算结果揭示了光电离过程中的Ｒｙｄｂｅｒｇ系列共振,并指出在非共振区光电离截面不是单调变化的。