Transition energy and dipole oscillator strength of 1s23d-1s2 nf transitions for Sc18+ ion

The transition energies of the 1s²3d-1s² nf (4?n?9) transitions and fine structure splittings of 1s² nf (n?9) states for Sc¹⁸⁺ ion are calculated with the full-core plus correlation method. The quantum defect of 1s² nf series is determined by the single-channel quantum defect theory. The energies of any highly excited states with n?10 for this series can be reliably predicted using the quantum defect as function of energy. Three alternative forms of the dipole oscillator strengths for the 1s²3d-1s² nf (n?9) transitions of Sc¹⁸⁺ ion are calculated with the transition energies and wave functions obtained above. Combining the quantum defect theory with the discrete oscillator strengths, the discrete oscillator strengths for 1s²3d-1s² nf (n > 9) transitions and the oscillator strengths densities corresponding to the bound-free transitions are obtained.     

Transition energy and dipole oscillator strength of 1s23d- 1s2nf transitions for Sc18+ ion

The transition energies of the 1s²3d-1s² nf (4⩽n⩽9) transitions and fine structure splittings of 1s² nf (n⩽9) states for Sc¹⁸⁺ ion are calculated with the full-core plus correlation method. The quantum defect of 1s² nf series is determined by the single-channel quantum defect theory. The energies of any highly excited states with n⩾10 for this series can be reliably predicted using the quantum defect as function of energy. Three alternative forms of the dipole oscillator strengths for the 1s²3d-1s² nf (n⩽9) transitions of Sc¹⁸⁺ ion are calculated with the transition energies and wave functions obtained above. Combining the quantum defect theory with the discrete oscillator strengths, the discrete oscillator strengths for 1s²3d-1s² nf (n > 9) transitions and the oscillator strengths densities corresponding to the bound-free transitions are obtained. __________ Translated from Chinese Journal of Atomic and Molecular Physics, 2005, 22(4) (in Chinese)     

Transition energies, wavelengths, oscillator strengths and transition probabilities between 1s, 1sns and 1snp (2?n?9) states for He-like Silicon

Multiconfiguration Hartree-Fock calculations with Breit-Pauli relativistic corrections are reported for electric dipole transition (E1) energies, wavelengths, weighted oscillator strengths and transition probabilities between all of the 1s², 1sns and 1snp (2?n?9) states for He-like silicon. The results are found to compare very well with available other results except Δn=0 due to differences in the calculated excitation energies.     

Theoretical study on behaviors of 1s22s-1s2np transition for Co24+ ion in the whole energy region

Non-relativistic energies of 1s²2s and 1s² np (n⩽9) states for Co²⁴⁺ ion are calculated by using the full-core plus correlation method. Our results of 1s²2s and 1s²2p states agree well with the high-precision results of Yan et al. Based on calculating the first-order corrections to the energy from relativistic and mass-polarization effects, we estimate the higher-order relativistic contribution and QED correction to the energy under a hydrogenic approximation. The transition energies, wavelengths and oscillator strengths for the 1s²2s−1s² np (n⩽9) transitions of this ion are calculated. The results agree with the experimental data available in literature satisfactorily. By combining with quantum defect theory, our theoretical predictions on the energy and oscillator strength of this ion are extrapolated to the whole energy region including continuous states.     

Relativistic calculation of spectra of 2-2 transitions in O- and F-like atomic ions

We have studied theoretically the structure of 1s²2s^n₁2p^n₂ levels in O- and F-like ions with z = 25 ÷ 40. Relativistic perturbation theory is used for the total interelectronic interaction. Allowance is made for Coulomb and relativistic interelectronic interactions. The first order perturbation theory for retardation of the interaction has been calculated fully. The complete calculation has also been made for the nonrelativistic correction in the second order and the Hartree-Fock part of the nonrelativistic correction in the third order. The Hartree-Fock relativistic correction in the second order has been taken into account fully for F-like ions and partially for O-like ions. Corrections to higher orders for z ? 28 have been found empirically and extrapolated to the region z = 29 ÷ 40. For energies of 2-2 transitions, calculation errors for z ? 28 do not exceed 900 cm^-1 and do not increase with z. Typical errors obtained with conventional, more cumbersome calculations are 5000 cm^-1 at z = 30.     

Allowed and forbiddenn=2-2 transitions of highly ionised titanium

Relativistic intermediate-coupling wavefunctions are used to evaluate transition energies, line strengths and transition probabilities for all allowed and forbiddenn=2-2 transitions for beryllium-like titanium ion. We have shown that to achieve a better than 1% agreement between theory and experiment for transition energies between then=2-2 levels it is not sufficient to use the three-configuration basis composed of 2s ², 2s2p and 2p ².     

Wavelength and oscillator strength of dipole transition 1s<Superscript>2</Superscript>2p—1s<Superscript>2</Superscript><Emphasis Type="Italic">n</Emphasis>d for Mn<Superscript>22+</Superscript> ion

The transition energies, wavelengths and dipole oscillator strengths of 1s²2p—1s² nd (3⩽n⩽9) for Mn²²⁺ ion are calculated. The fine structure splittings of 1s² nd (n</9) states for this ion are also evaluated. In calculating energy, the higher-order relativistic contribution is estimated under a hydrogenic approximation. The quantum defect of Rydberg series 1s² nd is determined according to the quantum defect theory. The results obtained in this paper excellently agree with the experimental data available in literatures. Supported by the National Natural Science Foundation of China (Grant No. 10774063)     

Resonant polaron coupling of the n = 1 Landau level and the 2p+ donor state in GaAs

The n = 0 → > n = 1 Landau level and 1s ?2p⁺ impurity transitions in GaAs were investigated up to energies above the optical phonon energy ?Ω_LO and d.c. magnetic fields up to 25 T. Pinning of both transitions to an energy slightly above and below ?Ω_LO was observed. At an energy very close to ?Ω_LO two additional impurity transitions are found. These features are attributed to the resonant polaron effect which leads to hybridization and dipole selection rule breakdown. Also the spin doublet splitting of both transitions were resolved showing a strong magnetic field dependence which can not be explained by nonparabolicity of the conduction band alone.     

Production of L X rays in energetic Cl → Cl collisions

The L X-ray spectrum from Cl⁷⁺ → Cl₂ collisions at 40 MeV is presented. The large number of lines observed are generally found to be consistent with calculations of X-ray transition energies from the “unit flourescence yield configuration”, 1s²2s²2pⁿ3s¹. The calculations indicate large X-ray energy splittings for transitions from different multiplet states. The assumption of statistical population of the multiplets is found to be consistent with the intensities of the observed lines.     

Energy and Oscillator Strength of V20+ Ion

The ionization potentials and fine structure splittings of 1s² nl (l = s, p, and d; n ⩽ 9) states for lithium-like V²⁰⁺ ion are calculated by using the full-core plus correlation (FCPC) method. The quantum defects of these three Rydberg series are determined according to the single-channel quantum defect theory (QDT). The energies of any highly excited states with n ⩾ 10 for these series can be reliably predicted using the quantum defects that are function of energy. The dipole oscillator strengths for the 1s²2s–1s² np and 1s²2p–1s² nd (n ⩽ 9) transitions of V²⁰⁺ ion are calculated with the energies and FCPC wave functions obtained above. Combining the QDT with the discrete oscillator strengths, the discrete oscillator strengths for the transitions from the given initial state to highly excited states (n ⩾ 10) and the oscillator strength density corresponding to the bound-free transitions are obtained. Translated from Chinese Journal of Atomic and Molecular Physics, 2005(2) (in Chinese)     

K X-ray satellite structures of bromine and molybdenum

The energies and electric dipole rates of Kα X-ray satellites due to 1s-2p transitions in bromine and molybdenum with one to five vacancies in the 2p shell and other shells retaining their normal occupation numbers are computed using Multi-Configuration Dirac Fock wavefunctions with the inclusion of relativistic and quantum electrodynamic corrections. As fully relativistic calculations on all the Kα X-ray fine structure satellites with multiple spectator vacancies in the 2p shell of elements under consideration, to the best of our knowledge, are reported in this work for the first time, the accuracy of the E1 data is analyzed in terms of the agreement between the rates in the length and velocity forms. While the intensities of the strong electric dipole lines in the various groups of 1s - 2p transitions obey the well established Z dependence, many of the weak transitions vary randomly with Z and an attempt is made in this work to understand the behaviour of the spin-forbidden and weak electric dipole lines in the KαL ⁿ X-ray satellite structure of Br, Mo, I, and Au. As the number of closely spaced fine structure transitions range from a few to many depending on the spectator vacancies in the 2p shell, the intensity weighed statistical average satellite energies, line strengths and photo-ionization cross sections are reported to guide in the reliable interpretation of experimental measurements.     

Breit相互作用对类氦离子亚稳态1s2s 3S1电子碰撞激发截面的影响

利用新近发展的基于全相对论扭曲波方法研究电子-离子碰撞激发过程的计算程序,通过对Breit相互作用的考虑,计算了类氦等电子序列离子从亚稳态1s2s³S₁激发2s电子到n=2,3壳层的电子碰撞激发截面;研究了不同入射电子能量时Breit相互作用对碰撞激发截面的影响,进一步总结了沿等电子序列变化时,Breit相互作用对截面影响的一般规律.部分计算结果与实验结果进行了比较,得到了很好的一致性. 关键词： 全相对论扭曲波方法 Breit相互作用 电子碰撞激发截面     

Laser produced soft x-ray spectra of silver

Spectral lines corresponding to the transitions 3d¹⁰4s - 3d¹⁰np, 3d¹⁰4s² - 3d¹⁰4snp and 3d¹⁰4s²4p - 3d¹⁰4s²nd, 3d¹⁰4s²ns of Ag XIX - Ag XVII have been identified in a laser produced soft X-ray spectrum of silver by computing the transition energies with the help of a self-consistent field, Hartree-Fock-Slater code and by extrapolation of our previous observations regarding the state of ionization of the plasma in the cases of Mg, Al, Fe and Cu.     

氦原子1sns组态能量及其相对论修正

利用Mathemtica语言开发了一套计算氦原子1sns组态能量的程序.提出了构造氦原子1sns组态波函数的新方法,利用Rayleigh-Ritz变分法对氦原子1sns(n=2—5)组态的非相对论能量进行了计算,并计算了其相对论修正值(包括质量修正、单体达尔文修正、双体达尔文修正、自旋-自旋接触相互作用修正、轨道-轨道相互作用修正),计算结果与实验值相当接近. 关键词： 氦原子 能量 变分法 Mathemtica程序     

Theoretical study on 2s2p6np Rydberg states of Cu19+ ion

We report on the calculations of transition wavelengths and weighted oscillator strengths for 2s²2p⁶-2s2p⁶ⁿp (4 ≤ n ≤ 20) electric dipole (E1) transitions of Cu¹⁹⁺ ion. The flexible atomic code (FAC) has been adopted for the calculations. Comparisons are made with the experimental data available, showing that the present results for 4 ≤ n ≤ 6 are more accurate than the previous calculated values. Furthermore, combining the quantum defect theory (QDT) with the transition energies of 2s²2p⁶-2s2p⁶np, the quantum defects for 2s2p⁶np Rydberg series of Cu¹⁹⁺ ion are determined. In addition, the energies of any highly excited states (n > 20) for this series can be reliably predicted using the QDT and the given quantum defects. The ionization energies for Cu¹⁹⁺ and Cu²⁰⁺ ions are also calculated and they excellently accord with previous experimental and calculated values.     

Radiative lifetimes and tensor polarizabilities of 1s4f 1 F and 1s5f 1 F level of He I

He atoms have been excited by Ne⁺ ion impact and the depolarization of the fluorescence lines at 668 nm and 492 nm by magnetic and electric fields has been studied. The Ne⁺ ion energy could be chosen such that pure cascade level crossing signals were observed. From the widths of magnetic depolarization signals the radiative lifetimes τ(1s4f ¹ F)=74(2) ns and τ(1s5f ¹ F)=133(5) ns have been determined. By investigating the electric field splitting of the magnetic depolarization signals the tensor polarizabilities ¦α _ten(1s4f ¹ F)¦=0.58(1) kHz/(V/cm)² and ¦α _ten(1s5f ¹ F)¦=4.2(1) kHz/(V/cm)² have been deduced. From the latter value a mean frequencyv(1s5g?1s5f)=14.4 GHz of the transitions between the levels of the 1s5f configuration and those of the 1s5g configuration has been derived.α _ten(1s4f ¹ F) depends sensitively on the singlet-triplet mixing in the 1s4f configuration and thus a mixing coefficient could be deduced for this configuration.     

Relativistic calculations of 3s2 1S0-3s3p 1P1 and 3s2 1S0-3s3p 3P1,2 transition probabilities in the Mg isoelectronic sequence

Using the multi-configuration Dirac-Fock self-consistent field method and the relativistic configuration-interaction method,calculations of transition energies,oscillator strengths and rates are performed for the 3s 2 1 S 0-3s3p 1 P 1 spinallowed transition,3s 2 1 S 0-3s3p 3 P 1,2 intercombination and magnetic quadrupole transition in the Mg isoelectronic sequence(Mg I,Al II,Si III,P IV and S V).Electron correlations are treated adequately,including intravalence electron correlations.The influence of the Breit interaction on oscillator strengths and transition energies are investigated.Quantum electrodynamics corrections are added as corrections.The calculation results are found to be in good agreement with the experimental data and other theoretical calculations.     

The study of the 4s4p configuration of the Zn isoelectronic sequence using the relativistic jj-coupling approach

The 4s4p configuration of Zn is analyzed using the Relativistic jj-coupling approach. The experimentally determined relativistic Slater integrals are compared with the results of numerical codes, both quasi- and fully-relativistic ones. In this work, they are estimated, semi-empirically, the two J = 1 levels up Z = 70 and the ¹P₁ level up Z = 92 by judicious interpolation and extrapolation of energies. The comparison with extensive relativistic configuration-interaction calculations indicates that differences between both approaches are of the order of measurement accuracies.     

One-electron spectrum of Lu2+: Relativistic energies,transition probabilities and dipole polarizability

Calculations are reported of relativistic model-potential ionization energies and transition probabilities in the one-electron spectrum of doubly ionized lutetium. The approach employed includes both valence-core electron exchange and correlation. The influence of polarization of the core by the valence electron on ionization energies and transition probabilities has been studied. Strong cancellation effects, similar to those found previously for the Yb(II) spectrum, have been found for higher transitions of the principal series. Energies are predicted for some states that have not yet been determined experimentally. Computed oscillator strengths for the principal series are employed to obtain a tentative value for the static dipole polarizability of the doubly-ionized lutetium ground state … 4f¹⁴6s²S_{$\text{1}\text{2}$}.     

ДлИны Boлн и Bepoятнocти пeppexoдoв Для иэoэлeктpoннoЙ пocлeдoбaтэльнocти киcлoпoдa

Energies of the transitions 1s²2s²2p⁴?1s²2s2p⁵?1s²2p⁶ belonging to the isoelectronic sequence of oxygen have been calculated. The Hartre-Fock energy and the correlation energy, as well as relativistic corrections, were taken into account. The results have been compared with experimental data. Agreement was found to be good, thus suggesting that the $\text{(}\text{1}\text{Z}\text{)-}\text{expansion}$ converges rapidly. Perturbation theory was used for calculations of transition probabilities for the transitions 1s²2s²2p⁴?1s²2s2p⁵?1s²2p⁶ of the isoelectronic sequence of oxygen. The results may be useful in interpreting soft X-ray line radiation from these transitions, as observed in the solar corona and in high-temperature laboratory-generated plasmas.