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arXiv · 2305.04233

Finite-Basis-Set Approach to the Two-Center Heteronuclear \\ Dirac Problem

Artem A. Kotov·Dmitry A. Glazov·Aleksei V. Malyshev·Vladimir M. Shabaev·Günter Plunien
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Abstract

The rigorous two-center approach based on the dual-kinetically balanced finite-basis-set expansion is applied to one-electron, heteronuclear diatomic Bi-Au, U-Pb, and Cf-U quasimolecules. The obtained $1\sigma$ ground-state energies are compared with previous calculations, when possible. Upon analysis of three different placements of the coordinate system's origin in the monopole approximation of the two-center potential: (1) in the middle, between the nuclei, (2) in the center of the heavy nucleus, and (3) in the center of the light nucleus, a substantial difference between the results is found. The leading contributions of one-electron quantum electrodynamics (self-energy and vacuum polarization) are evaluated within the monopole approximation as well.

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Artem A. Kotov, Dmitry A. Glazov, Aleksei V. Malyshev, Vladimir M. Shabaev, Günter Plunien. 2023-05-07. Finite-Basis-Set Approach to the Two-Center Heteronuclear \\ Dirac Problem. https://doi.org/10.3390/atoms10040145

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