Lanthanide/actinide contraction is related to the smaller effective atomic radii of lanthanides/actinides as the f shell becomes filled. This effect manifests itself at the molecular level as a decreased bond length (e.g., rLa-X &gt; rLu-X). Previous studies estimate relativistic effects to comprise 10-20% of the lanthanide contraction and significantly more for the actinide contraction. We investigate the lanthanide/actinide contraction as a function of relativistic Hamiltonian (up to fully variational Dirac-Coulomb-Breit) to better understand and quantify what relativistic contributions are important.

Variational Breit corrections to lanthanide and actinide contraction

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