Ab initio QED calculations in diatomic quasimolecules

Abstract

We present a theoretical approach for ab initio calculations of the one-loop QED corrections to energy levels of heavy diatomic quasimolecules. This approach is based on the partial-wave expansion of the molecular wave and Green functions in the basis of monopole solutions, written in spherical coordinates. By using so generated molecular functions we employed the existing atomic-physics techniques to evaluate the self-energy and vacuum-polarization corrections. In order to illustrate the application of our method, we perform detailed calculations of the Dirac energy and QED corrections for the 1${\sigma }_g$ ground state of homonuclear U${}_2^{183+}$ as well as heteronuclear U-Pb${}^{173+}$ and Bi-Au${}^{161+}$ quasimolecules.

References in corpus (8)

• Dual kinetic balance approach to basis set expansions for the Dirac equation
• QED tests with highly-charged ions
• Theoretical transition frequencies beyond 0.1 ppb accuracy in H${}_2^{+}$, HD${}^{+}$, and antiprotonic helium
• Dissociation Energy of Molecular Hydrogen Isotopologues
• Relativistic calculations of the ground and inner-L-shell excited energy levels of berylliumlike ions
• QED calculation of electron-electron correlation effects in heliumlike ions
• Higher-order corrections to spin-spin scalar interactions in HD${}^{+}$ and H${}_2^{+}$
• QED calculation of the $2p$ fine structure in Li-like ions

Cited by in corpus (3)

• High-precision solution of the Dirac Equation for the hydrogen molecular ion using a basis-set expansion
• Finite-Basis-Set Approach to the Two-Center Heteronuclear \\ Dirac Problem
• High-precision minmax solution of the two-center Dirac equation