Gaussian-basis-set approach to one-loop self-energy

Dávid Ferenc; Maen Salman; Trond Saue

doi:10.1103/PhysRevA.111.L040802

Letter

Gaussian-basis-set approach to one-loop self-energy

Dávid Ferenc ^1,*, Maen Salman ^1,2, and Trond Saue ¹

¹Laboratoire de Chimie et Physique Quantique, UMR 5626, CNRS–Université Toulouse III-Paul Sabatier, 118 Route de Narbonne, F-31062 Toulouse, France
²Laboratoire Kastler Brossel, Sorbonne Université, CNRS, ENS–Université PSL, Collége de France, 4 place Jussieu, F-75005 Paris, France

^*Contact author: david.ferenc@irsamc.ups-tlse.fr

PDF

Phys. Rev. A 111, L040802 – Published 28 April, 2025

DOI: https://doi.org/10.1103/PhysRevA.111.L040802

Abstract

We report a method for the evaluation of the one-loop self-energy, to all orders in the external binding field, using a Gaussian-basis-set expansion. This choice of basis is motivated by its widespread use in molecular calculations. For a one-electron atom, our results show excellent agreement with those obtained using the exact Dirac-Coulomb wave functions. The developed method can be of interest for high-precision studies of heavy few-electron molecular systems, where the rigorous computation of QED corrections is currently a formidable task.

Physics Subject Headings (PhySH)

Relativistic & quantum electrodynamic effects in atoms, molecules,& ions

Authorization Required

We need you to provide your credentials before accessing this content.

Physical Review A

Export citation

Export citation

Gaussian-basis-set approach to one-loop self-energy

Abstract

Physics Subject Headings (PhySH)

Authorization Required

Other Options

References (Subscription Required)

Outline

Information

Filter

Filter

Article Lookup

Enter a citation

Gaussian-basis-set approach to one-loop self-energy

Abstract

Physics Subject Headings (PhySH)

Authorization Required

Log in via your institution

Log in via APS Member Subscription

Other Options

References (Subscription Required)