ARTICLE
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doi:10.20944/preprints202212.0530.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
generalized relativistic pseudopotentials; molecular integrals; Gaussian basis functions; relativistic coupled cluster theory; excited states; heavy-element compounds; high-precision electronic structure modeling; thorium oxide; uranium dioxide.
Online: 28 December 2022 (07:57:51 CET)