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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★ 1 cited
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…