Theoretical analysis of the relativistic hyperfine interaction in 131Xe I. (November 2020) - Hassouneh, Ola
Highlights: The interaction between the nucleus of xenon 131-isotop and the orbit electrons is studied. As a result of this study, the hyperfine constants of 128 levels belonging to the n s [ k ] J (n = 6, 7, 8, 9), n f [ k ] J (n = 4, 5, 6), n d [ k ] J (n = 5, 6, 7, 8), n p [ k ] J (n = 6, 7, 8) and 5g[ k ] J intermediate Rydberg series are provided. The magnetic and electric field gradients at the nucleus site are extracted by combining the previous results with experimental values of the nuclear magnetic dipole and electric quadrupole moments of the atom under consideration. The Multiconfiguration Dirac-Hartree-Fock (MCDHF) method is employed. Abstract: The relativistic hyperfine constants of the heavy inert gas element xenon-131 isotope have been calculated. The calculations, executed through the Multiconfiguration Dirac-Hartree-Fock method, yield the hyperfine constants of 128 levels belonging to the n s [ K ] J (n = 6, 7, 8, 9), n f [ K ] J (n = 4, 5, 6), n d [ K ] J (n = 5, 6, 7, 8), n p [ K ] J (n = 6, 7, 8) and 5 g [K] J intermediate Rydberg series. In order to draw further insights into the precision of our calculations and the accuracy of the obtained data, the resulting magnetic dipole and electric quadrupole hyperfine constants are analysed by comparing them with other experimental and theoretical results available in the atomic spectra database. Indeed, a satisfactory agreement is observed between our results and the other experimental and theoretical ones. Moreover, the absence of the hyperfine anomaly enables us to highlight the plausibility of our theoretical results through the calculation of the ratio A 129 A 131 for a given state. The obtained values are found to be compatible with the ratio of nuclear moments of 129 Xe and 131 Xe isotopes. The consistency of these two different analyses confirms the accuracy of our data, on the one hand and classifies them as a reference in identifying the experimental spectrum in xenon, on the other hand. Based on this accuracy, the calculated values of the hyperfine constants for the levels under consideration, accompanied by the experimental values of the nuclear magnetic dipole and electric quadrupole moments, facilitated the calculation of the mean value of the magnetic as well as the electric field gradients produced by the electron at the tiny nucleus.