Vacuum polarization in molecules. II. Higher-order corrections

We outline a general formalism for treating vacuum polarization phenomena within an effective field expansion. The coupling between source charges and virtual fields is examined from the perspectives of electrostatic potentials, induced charge densities, and form factors in momentum space. A strategy for the efficient calculation of vacuum polarization potentials is outlined, implemented, and applied towards the construction of fitting potentials that are suitable for molecular electronic structure calculations, which enclose no overall charge by construction. The order-$\ensuremath{\alpha}(Z\ensuremath{\alpha})$, -$\ensuremath{\alpha}{(Z\ensuremath{\alpha})}^{3}$, and -${\ensuremath{\alpha}}^{2}(Z\ensuremath{\alpha})$ effects of a Gaussian nuclear charge on the electron-positron field are applied variationally towards the E119F molecule, as well as the order-$\ensuremath{\alpha}(Z\ensuremath{\alpha})$ effects arising from the virtual muon and charged pion fields.

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Publication Details

Journal
Physical review. A/Physical review, A
Published
2025-04-08
DOI
https://doi.org/10.1103/physreva.111.042811
Citations
2
Primary Topic
Atomic and Molecular Physics
Type
article
Field-Weighted Citation Impact
2.49
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article

Vacuum polarization in molecules. II. Higher-order corrections

I. P. Grant, Harry M. Quiney, Donal Flynn
2 citations
Physical review. A/Physical review, A
Atomic and Molecular Physics
2.49
article

Vacuum polarization in molecules. II. Higher-order corrections

I. P. Grant, Harry M. Quiney, Donal Flynn
article en
2 citations

Abstract

We outline a general formalism for treating vacuum polarization phenomena within an effective field expansion. The coupling between source charges and virtual fields is examined from the perspectives of electrostatic potentials, induced charge densities, and form factors in momentum space. A strategy for the efficient calculation of vacuum polarization potentials is outlined, implemented, and applied towards the construction of fitting potentials that are suitable for molecular electronic structure calculations, which enclose no overall charge by construction. The order-$\ensuremath{\alpha}(Z\ensuremath{\alpha})$, -$\ensuremath{\alpha}{(Z\ensuremath{\alpha})}^{3}$, and -${\ensuremath{\alpha}}^{2}(Z\ensuremath{\alpha})$ effects of a Gaussian nuclear charge on the electron-positron field are applied variationally towards the E119F molecule, as well as the order-$\ensuremath{\alpha}(Z\ensuremath{\alpha})$ effects arising from the virtual muon and charged pion fields.

Physical review. A/Physical review, AVol. 111(4)
The University of Melbourne (AU), University of Cambridge (GB), University of Oxford (GB), Mathematical Institute of the Slovak Academy of Sciences (SK)
Affordable and clean energy
Openalex Percentile: Top 12%
Atomic and Molecular Physics
2.49
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Vacuum polarization in molecules. II. Higher-order corrections — I. P. Grant, Harry M. Quiney, et al. · Physical review. A/Physical review, A (2025) | TGRS Research Map | TGRS