Rovibrational computations for He2+X2Σu+ including non-adiabatic, relativistic and QED corrections

We report the potential energy curve, the diagonal Born-Oppenheimer, non-adiabatic mass, relativistic, and leading-order QED corrections for the ground electronic state of the helium dimer cation; the higher-order QED and finite-nuclear size effects are also estimated. The computations are carried out with an improved error control and over a much broader configuration range compared to earlier work [D. Ferenc, V. I. Korobov, and E. Mátyus, Phys. Rev. Lett. 125, 213001 (2020)]. As a result, all rovibrational bound states are reported with an estimated accuracy of 0.005 cm$^{-1}$.

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Publication Details

Journal
Molecular Physics
Published
2026-01-26
DOI
https://doi.org/10.1080/00268976.2025.2611409
Citations
1
Primary Topic
Particle physics theoretical and experimental studies
Type
article
Field-Weighted Citation Impact
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article

Rovibrational computations for He2+X2Σu+ including non-adiabatic, relativistic and QED corrections

Edit Mátyus, Ádám Margócsy
1 citations
Molecular Physics
Particle physics theoretical and experimental studies
article

Rovibrational computations for He2+X2Σu+ including non-adiabatic, relativistic and QED corrections

Edit Mátyus, Ádám Margócsy
article en
1 citations

Abstract

We report the potential energy curve, the diagonal Born-Oppenheimer, non-adiabatic mass, relativistic, and leading-order QED corrections for the ground electronic state of the helium dimer cation; the higher-order QED and finite-nuclear size effects are also estimated. The computations are carried out with an improved error control and over a much broader configuration range compared to earlier work [D. Ferenc, V. I. Korobov, and E. Mátyus, Phys. Rev. Lett. 125, 213001 (2020)]. As a result, all rovibrational bound states are reported with an estimated accuracy of 0.005 cm$^{-1}$.

Molecular Physics
Eötvös Loránd University (HU)
Openalex Percentile: Top 99%
Particle physics theoretical and experimental studies
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