Relativistic density functional theory with finite-light-speed correction for the Coulomb interaction: a non-relativistic-reduction based approach

Abstract

The Breit correction, the finite-light-speed correction for the Coulomb interaction of the electron-electron interaction in $O\left(1/c^2\right)$, is introduced to density functional theory (DFT) based on the non-relativistic reduction with the local density approximation. Using this newly developed relativistic DFT, it is found that the possible outer-most electron of lawrencium atom is the $p$ orbital instead of the $d$ orbital, which is consistent with the previous calculations based on wave-function theory. A possible explanation of the anomalous behavior of its first ionization energy is also given. This DFT scheme provides a practical calculation method for the study of properties of super-heavy elements.

arXiv comment23 pages, 5 figures, 5 tables

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Cited by in corpus (2)

• Towards CP Violation Studies on Superheavy Molecules: Theoretical and Experimental Perspective
• Relativistic correction of the Coulomb interaction in the local density approximation for energies and radii in doubly-magic nuclei