Relativistic MR-MP Energy Levels for L-shell Ions of Iron

Abstract

A comprehensive set of level energies is provided for the valence and K-vacancy states of the ions Fe xvii, Fe xviii, Fe xix, Fe xx, Fe xxi, Fe xxii, Fe xxiii, and Fe xxiv. Level energies were calculated with the relativistic Multi-Reference Møller–Plesset Perturbation Theory method (MR-MP). The data set includes level energies coming from the configurations , , , , , and , where 1 ≤ q ≤ 8, n ≤ 5, and l ≤ 3. The results have been compared with data from the National Institute of Standards and Technology (NIST) online database and with previous calculations. In general, the deviation from the NIST-recommended values is below 0.6 and 1.0 eV for valence and K-vacancy level energies, respectively. However, we identify numerous outliers among the NIST-recommended values. The extensive data set presented here greatly augments the amount of available reference level energies in the NIST database for L-shell ions of Fe, and we expect our data set to ease line identification and confirm level designations.

Energy levels, transition rates and electron impact excitation rates for B-like Kr XXXII

“…In our previous work [34], we reported extensive and highly accurate energy levels, transition rates and electron impact excitation rates for B-like ions with Z = 24 − 30, and discussed the importance of the radiative damping effect. The accuracy of energy levels was comparable to those performed by the relativistic Multi-Reference Møller-Plesset Perturbation theory (MR-MP) [35][36][37]. In this work, we extend our previous research to Z = 36, as a continuation of our recent efforts [11-13, 34, 38-44] to provide self-consistent, large-scale and accurate atomic data.…”

Fully relativistic many-body perturbation energies, transition properties, and lifetimes of lithium-like iron Fe XXIV

“…Due to the importance of lithium-like ions, there have been many studies on the ions. [3,[6][7][8][9][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30] In particular, Nahar et al [28] (hereafter referred to as Nahar1999) used the quasi-relativistic Breit-Pauli R-matrix method (BPRM) to calculate E1 transition radiative rates between energy levels up to n = 10 for lithium-like iron. In their calculations, they just added one-body relativistic correction terms to the non-relativistic Hamiltonian, [31] which included the one-body mass correction, the one-body Darwin term, and the spin-orbit term, they did not even include the two-body interactions in the Breit-Pauli approximation (such as the spin-other orbit, spin-spin, orbit-orbit, two-body Darwin, and spin-contact terms).…”