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Quasirelativistic energy-consistent 5f-in-core pseudopotentials modeling pentavalent (5fn−2 occupation with n = 2–6 for Pa–Am) and hexavalent (5fn−3 occupation with n = 3–6 for U–Am) actinides have been adjusted. Energy-optimized (6s5p4d) and (7s6p5d) valence basis sets contracted to polarized double- to quadruple-zeta quality as well as 2f1g correlation functions have been derived. Corresponding...
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