5 papers
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…
Resolving the Blueshift in Calculations of the EUV Spectrum of Multiply Charged Tin Ions
M. L. Reitsma, J. Sheil, O. O. Versolato +2
We report ab initio relativistic calculations on the complex open shell Sn highly charged ion, a prototypical plasma ion relevant for extreme ultraviolet (EUV) nanolithogra…
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…
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…
Relativistic atomic structure calculations in support of spectroscopy
L. F. Pašteka, E. Eliav, M. L. Reitsma +1
Theory can provide important support at all the stages of spectroscopic experiments, from planning the measurements to the interpretation of the results. Such support is particular…