Finite-Basis-Set Approach to the Two-Center Heteronuclear Dirac Problem
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Contributors
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 (Formula presented.) 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.
Details
| Original language | English |
|---|---|
| Article number | 145 |
| Journal | Atoms |
| Volume | 10 |
| Issue number | 4 |
| Publication status | Published - Dec 2022 |
| Peer-reviewed | Yes |
Keywords
ASJC Scopus subject areas
Keywords
- dual-kinetic-balance approach, heteronuclear quasimolecules, two-center Dirac equation