Relativistic multireference many-body perturbation theory calculations on F-, Ne-, Na-, Mg-, Al-, Si- and P-like xenon ions

Abstract

Relativistic multireference many-body perturbation theory calculations on F-, Ne-, Na-, Mg-, Al-, Si-, and P-like xenon ions

Effects of valence-valence, core-valence, and core-core correlations on the fine-structure energy levels in Al-like ions

“…For medium-to low-Z ions (Table XI), it is clear that the calculated values including the CV correlation are in general in very good agreement with the MCHF calculations of Froese Fischer et al [9] and the MBPT calculations of Safronova et al [43] and Vilkas et al [17,18] except for some transitions with a maximum difference of approximately 0.4%, but the maximum difference for our VV correlation calculations is 0.8%. A comparison between the present wavelengths and the JET tokamak experimental values of Jupén et al [1], Sugar and Kaufman [7], and Jupén and Curtis [3] and the observations of NIST [34] reveals that the greatest difference between the experimental results and our GRASP2K transition wavelengths for our CV correlation calculations is 0.25% and the maximum difference for the results of VV correlation calculations is 0.5%.…”

“…Comparisons of our MCDHF energies with other theoretical and experimental data are too voluminous to include here but are available as experimental data are taken as reported by Jupén et al [3], Sugar et al [7], Ekberg et al [4], and researchers at NIST. Predicted data based on measurements has been given by Froese Fischer et al [9], Safronova et al [16], and Vilkas et al [17,18]. Similar data for Fe XIV and Ni XVI were given by Gupta et al [13] and Aggarwal et al [37].…”

“…Our comparison is presented in two parts: wavelengths and transition probability differences. Our MCDHF values are compared with theoretical values given by Froese Fischer et al [9], by Safronova et al [43], and by Vilkas et al [17,18] and experimental results given by Jupén et al [1], by Sugar and Kaufman [7], by Jupén and Curtis [3], and by researchers at NIST [34].…”

“…Many ab initio calculations using a wide range of different methods * gjiang@scu.edu.cn have also been done for calculating fine-structure energy levels and lifetimes. To mention just a few, fine-structure energy levels in Si II [8] and Al I-Fe XIV [9] have been calculated using the multiconfiguration Hartree-Fock (MCHF) approach, Cl V [10], Mn XIII [11], Co xv [12], Fe XIV, and Ni XVI [13] using CIV3, S IV [14] and Ar VI [15] using configurationinteraction (CI) expansions, P III-Mo XXX [16], Xe XXXXII [17], and Au LXVII [18] using the many-body perturbation theory (MBPT) approach, Ca VIII [19] using the R-matrix approximation, K VII [20] using the multiconfiguration Hartree-Dirac-Fock method (MCDHF) method, and Si II [21] using the relativistic quantum defect orbital (RQDO) method. Both experiment and theory have been used to investigate the fine structure for medium-to low-Z ions.…”

Relativistic multireference Møller–Plesset perturbation theory calculations of the energy levels and transition probabilities in Ne-like xenon, tungsten, and uranium ions

“…In this study we applied second-order multireference Møller-Plesset perturbation (MR-MP) theory [6][7][8] to calculate term energies and transition probabilities of allowed and forbidden transitions in the Ne-like xenon, tungsten, and uranium ions. The choice of the ions was dictated by the fact that laboratory data on xenon and uranium data are much richer in lines and serve as low-and high-ends of the isoelectronic sequences.…”