Finite-Basis-Set Approach to the Two-Center Heteronuclear \\ Dirac Problem
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 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.
Cite
@article{arxiv.2305.04233,
title = {Finite-Basis-Set Approach to the Two-Center Heteronuclear \\ Dirac Problem},
author = {Artem A. Kotov and Dmitry A. Glazov and Aleksei V. Malyshev and Vladimir M. Shabaev and Günter Plunien},
journal= {arXiv preprint arXiv:2305.04233},
year = {2023}
}