Light one-electron quasi-molecular ions within the finite-basis-set method for the two-center Dirac equation
Atomic Physics
2025-09-11 v1
Abstract
The electronic spectra of light one-electron quasi-molecular compounds H-H, He-He and He-H are analyzed. To this end, the two-center Dirac equation is solved by the dual-kinetically balanced finite-basis-set method for axially symmetric systems termed as A-DKB. This method allows a complete relativistic consideration of these systems at fixed internuclear distances. A comparison of the obtained results with the nonrelativistic and relativistic calculations presented in the literature is performed. The advantages and disadvantages of the approach are discussed in details.
Keywords
Cite
@article{arxiv.2310.04057,
title = {Light one-electron quasi-molecular ions within the finite-basis-set method for the two-center Dirac equation},
author = {D. Solovyev and A. Anikin and A. Danilov and D. Glazov and A. Kotov},
journal= {arXiv preprint arXiv:2310.04057},
year = {2025}
}