Investigating properties of heavy and superheavy atomic systems with $p^{3}$ configurations

TL;DR

This study calculates energies and spectroscopic properties of various heavy and superheavy atomic systems with $np^{3}$ configurations, using advanced relativistic methods to provide reliable data where experimental results are lacking.

Contribution

The paper applies a relativistic multi-reference configuration interaction method to compute properties of open-shell heavy atoms with $np^{3}$ configurations, expanding theoretical data for these elements.

Findings

Predicted properties align well with available literature data.

Results suggest reliability of calculations for elements lacking experimental data.

Provides a comprehensive set of spectroscopic data for heavy and superheavy atoms.

Abstract

We have investigated energies and spectroscopic properties such as lifetimes, $g_J$ factors, and hyperfine structure constants of the neutral atoms P through Mc belonging to Group-15, singly ionized atoms S$^+$ through Lv$^+$ of Group-16 and doubly ionized atoms Cl$^{2+}$ through Ts$^{2+}$ of Group-17 of the periodic table. These elements have $np^{3}$ configurations with $n=3-7$, which are highly open-shell and expected to exhibit strong electron correlation effects. We have used four-component Dirac-Coulomb Hamiltonian along with Gaunt term and a relativistic effective core potential through the relativistic multi-reference configuration interaction method to perform the calculations with sufficient accuracy and compare the results with the available literature data. These comparisons suggest that our predicted values, for which experimental data are not available, are reliable enough to be useful for future applications.