3 papers
physics.atom-ph2026
Ab initio calculations of the electronic structure of Ac
Genevieve Geehan, Marten Luit Reitsma, Johan David Polet +3
Accurate spectroscopic investigations of the heaviest elements are inherently challenging, due to their short lifetimes and low production yields. Success of such measurements requ…
physics.atom-ph2026
Relativistic quintuple-zeta basis sets for the p block
Marten L. Reitsma, Eifion H. Prinsen, Johan D. Polet +2
Relativistic quintuple-zeta basis sets for the p elements are presented. The basis sets for the occupied spinors were optimized at the Dirac-Coulomb self-consistent field (SCF) lev…
physics.atom-ph2025
Relativistic quintuple-zeta basis sets for the s block
Marten L. Reitsma, Eifion H. Prinsen, Johan D. Polet +2
Relativistic basis sets of quintuple-zeta quality are presented for the s-block elements. The basis sets include SCF exponents for the occupied spinors and for the np shell (the la…