Articles with "electron initio" as a keyword



The relativistic all-electron ab initio calculations on the multiplet electronic structure of U3+ ion

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Published in 2020 at "Chemical Physics"

DOI: 10.1016/j.chemphys.2020.110781

Abstract: Abstract The relativistic all-electron ab initio calculations have been performed on 5f3 manifold of free U3+ ion to explore the electronic structure and spectra. The spin-orbit-free low lying electronic states have been calculated at the… read more here.

Keywords: electron initio; electronic structure; initio calculations; electron ... See more keywords