Extended calculations of energy levels, radiative properties, and lifetimes for P-like Ge XVIII

https://doi.org/10.1016/j.jqsrt.2021.107512Get rights and content

Highlights

  • Energies, transition rates, and lifetimes for the lowest 150 levels of the 3s23p3, 3s3p4, 3s23p23d, 3s3p33d, 3p5, and 3s23p3d2 configurations in P-like Ge XVIII are provided.

  • The MCDHF and MBPT methods are employed.

  • The most accurate and complete atomic data for Ge XVIII are provided.

Abstract

Using the multiconfiguration Dirac-Hartree-Fock (MCDHF) and the relativistic configuration interaction (RCI) methods, a consistent set of transition energies and radiative transition data for the lowest 150 states of the 3s23p3, 3s3p4, 3s23p23d, 3s3p33d, 3p5, and 3s23p3d2 configurations in P-like Ge XVIII is provided. To assess the accuracy of the MCDHF transition energies, we have also performed calculations using the many-body perturbation theory (MBPT). Comparisons are made between the present MCDHF and MBPT data sets, as well as with other available experimental and theoretical values. The resulting accurate and consistent MCDHF data set will be useful for line identification and modeling purposes. These data can be considered as a benchmark for other calculations.

Introduction

Because of its applications in fusion plasmas, the phosphorus isoelectronic sequence from Zn XVI to Kr XXII has received great attention [1], [2], [3]. The Zn XVI, Se XX, and Kr XXII spectra were measured in tokamak plasmas [4], [5]. Using the National Institute of Standards and Technology (NIST) electron beam ion trap (EBIT), the extreme-ultraviolet (EUV) spectra of Kr XXII were observed [6]. As regards P-like Ge XVIII, the electric-dipole (E1) transition array (1s22s22p6)3s23p33s23p23d was observed by  Sugar et al. [7]. The magnetic dipole (M1) transitions within the 3s23p3 configuration of Ge XVIII were measured by Denne et al. [8] in a tokamak discharge.

On the theoretical side, excitation energies and transition rates for the low-lying 41 states of the 3s23p3, 3s3p4, and 3s23p23d configurations in Ge XVIII were provided by different calculations [9], [10], [11], [12], [13], [14]. Atomic parameters for higher-lying levels of P-like ions, such as the 3s3p33d levels, are also needed for applications in plasma physics [15], [16], [17], [18], [19].

The present study is a continuation of our recent work [18], [19] on P-like ions, in which a complete accurate data set of excitation energies and radiative rates involving high-lying levels in P-like Ge XVIII is provided. By using a state-of-the-art method, namely, the multi-configuration Dirac-Hartree-Fock (MCDHF) method combined with the relativistic configuration interaction (RCI) approach [20], excitation energies, wavelengths, lifetimes, and radiative transition data including line strengths, oscillator strengths, and transition rates, are provided for the lowest 150 levels of the 3s23p3, 3s3p4, 3s23p23d, 3s3p33d, 3p5, and 3s23p3d2 configurations. To assess the accuracy of the MCDHF transition energies, we have also performed calculations and provided excitation energies for Ge XVIII using the many-body perturbation theory (MBPT) [21]. This work extends and complements our long-term theoretical efforts [18], [22], [23], [24], [25], [26], [27], [28], [29], [30], [31], [32], [33], [34], [35], [36], [37], [38], [39], [40], [41], [42] to provide atomic data for L- and M-shells systems with high accuracy.

The paper is organized as follows. The MCDHF and MBPT calculations are outlined in Section 2. In Section 3 we present our numerical results and compare them with measured values and previous calculations. Section 4 is a brief summary.

Section snippets

MCDHF

The MCDHF method implemented in the GRASP2K code [43], [44] was reviewed by Froese Fischer et al. [20]. This method is also described in our recent papers [18], [19]. For this reason, only computational procedures are described below.

In our MCDHF calculations, the multireference (MR) sets for even and odd parities include even configurations: 3p43d, 3s3p23d2, 3s3p34p, 3s3p4, 3s23d3, 3s23p23d, 3s23p24d, 3s23p24s; odd configurations: 3p33d2, 3p5, 3s3p3d3, 3s3p33d, 3s3p34s, 3s23p3d2, 3s23p24f, 3s23

Excitation energies

In Table 1, excitation energies and lifetimes for the lowest 150 levels of the 3s23p3, 3s3p4, 3s23p23d, 3s3p33d, 3p5, and 3s23p3d2 configurations in Ge XVIII from our MCDHF calculations are provided. Excitation energies from the present MBPT calculations, as well as the energy differences between the MBPT and MCDHF results, are also included in this table.

In Table 2, the present MCDHF and MBPT excitation energies are compared with experimental values compiled in the NIST Atomic Spectra Database

Conclusions

Using the MCDHF method combined with the RCI approach, including the transverse electron-photon interaction in the low-frequency limit and the leading QED corrections, calculations have been performed for the lowest 150 levels of the 3s23p3, 3s3p4, 3s23p23d, 3s3p33d, 3p5, and 3s23p3d2 configurations in Ge XVIII. Excitation energies, radiative transition data, and lifetimes are reported.

The accuracy of energy levels from the MCDHF calculations is estimated by comparing the MCDHF results with

Declaration of Competing Interest

The authors declared that they have no conflicts of interest to this work.

Acknowledgments

We acknowledge the support from the National Key Research and Development Program of China under Grant no. 2017YFA0403200, the Science Challenge Project of China Academy of Engineering Physics (CAEP) under Grant no. TZ2016005, the National Natural Science Foundation of China (Grant nos. 11703004,  12074081, and  U2031135), the Natural Science Foundation of Hebei Province, China (A2019201300 ), and the Natural Science Foundation of Educational Department of Hebei Province, China (BJ2018058). Kai

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