Electron-correlation study of Y iii-Tc vii ions using a relativistic coupled-cluster theory

Abstract

Abstract. Spectroscopic properties, useful for plasma diagnostics and astrophysics, of a few rubidium-like ions are studied here. We choose one of the simplest, but correlationally challenging series where d− and f − orbitals are present in the core and/or valence shells with 4d 2 D 3/2 as the ground state. We study different correlation characteristics of this series and make precise calculations of electronic structure and rates of electromagnetic transitions. Our calculated lifetimes and transition rates are compared with other available experimental and theoretical values. Radiative rates of vacuum ultra-violet electromagnetic transitions of the long lived Tc 6+ ion, useful in several areas of physics and chemistry, are estimated. To the best of our knowledge, there is no literature for most of these transitions.Electron-correlation study of Y III-Tc VII ions using a relativistic coupled-cluster theory 2

Spectroscopic data of Rb-isoelectronic Zr and Nb ions for astrophysical applications

“…Similarly, we have compared the absorption oscillator strengths of various transitions of Nb V in Table 4, according to which, our results are in good agreement with the results given by Das et.al. (Das et al 2017). A deviation of less than 10% is seen during the comparison of our results with the data published in (Migdalek 2016), except for the 4D 3/2 → 5P 1/2 and 4D 5/2 → 5P 3/2 transitions.…”

“…In this table, it is seen that the results for the transition probabilities and absorption oscillator strengths agree well with each other within the quoted error limits. We have found that our results are in perfect accord with the previous data published by Migdalek and Baylis (Migdalek & Baylis 1979) and are in fair agreement with the results reported by Migdalek in (Migdalek 2016) and Das et.al (Das et al 2017) except for the 4D 3/2 → 5P 1/2 and 4D 5/2 → 5P 3/2 transitions. However, our results do not support the values obtained by Zilitis in (Zilitis 2007).…”

“…These correlation effects are classified into various physical effects such as core-polarization and pair-correlation effects, which behave differently for accurate description of wave functions depending upon the electronic configurations of atomic systems. Large differences among the previous calculations of transition properties in the considered ions using a variety of many-body methods (Lindgård & Nielsen 1977;Migdalek & Baylis 1979;Karwowski & Szulkin 1981;Glushkov et al 1996;Zilitis 2007;Das et al 2017) suggest that the roles of the electron correlation effects are significant and they should be accounted for meticulously in order to obtain reliable results.…”

“…Das et.al. studied spectroscopic properties of a few Rb-like ions including Zr IV and Nb V ions using the relativistic coupled-cluster method in 2017 (Das et al 2017). They calculated the matrix elements due to electric and magnetic multipole operators, lifetimes and oscillator strengths for different transitions and studied correlation behaviors in the Rb-isoelectronic series from Y III through Tc VII ions.…”

Two-photon polarizability of Ba$^+$ ion: Control of spin-mixing process in an ultracold $^{137}$Ba$^+$--$^{87}$Rb mixture

“…The calculation of dipolar polarizability is based on the sum-over-state [36,37] formalism in which the accurate calculations of E1 matrix elements of 137 Ba + play an important role as the other factors, energy levels of the ion, are extracted from experimental measurements. As stated earlier, we employ correlation exhaustive relativistic coupled-cluster singles, doubles, and partial triple [RCCSD(T)] formalism [42][43][44][45][46][47] to calculate the most dominating E1 matrix elements. Gaussian type orbital (GTO) basis [44,48] with optimized [49] even-tempered exponents [50] is considered to generate precise wavefunctions at the DF (Dirac-Fock) level.…”