Theoretical study of even- and odd-parity states in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">La</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">−</mml:mi></mml:mrow></mml:msup></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">Ac</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">−</mml:mi></mml:mrow></mml:msup></mml:mrow></mml:math>: Evidence for the uniqueness of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">La</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">−</mml:mi></mml:mrow></mml:msup></mml:mrow></mml:math>

199143 citationsJournal Article

Authors

Jolanta B. Lagowski · University of Toronto

Abstract

Density-functional-theory calculations predict that (i) ${\mathrm{La}}^{\mathrm{\ensuremath{-}}}$ is a unique negative ion in that it has bound states of both even and odd parity in the configurations [Xe]5${\mathit{d}}^{2}$6${\mathit{s}}^{2}$ and [Xe]5${\mathit{d}}^{1}$6${\mathit{s}}^{2}$6${\mathit{p}}^{1}$, respectively, and (ii) the ground state of ${\mathrm{Ac}}^{\mathrm{\ensuremath{-}}}$ is of odd parity in the configuration [Rn]6${\mathit{d}}^{1}$7${\mathit{s}}^{2}$7${\mathit{p}}^{1}$ while the even-parity state [Rn]6${\mathit{d}}^{2}$7${\mathit{s}}^{2}$ is unlikely to be bound. The dominant relativistic effects have been included perturbatively and are essential for these predictions.

Topics & Keywords

Advanced Chemical Physics Studies Inorganic Fluorides and Related Compounds Atomic and Molecular Physics

Publication Details

Published in: Physical Review A

Volume 43, Issue 11, pp. 6389-6392

DOI: 10.1103/physreva.43.6389

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