Nonadiabatic Relativistic Correction to the Dissociation Energy of H2, D2, and HD

Mariusz Puchalski, Anna Spyszkiewicz, Jacek Komasa, and Krzysztof Pachucki
Phys. Rev. Lett. 121, 073001 – Published 14 August 2018
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Abstract

The relativistic correction to the dissociation energy of H2, D2, and HD molecules has been accurately calculated without expansion in the small electron-nucleus mass ratio. The obtained results indicate the significance of nonadiabatic effects and resolve the discrepancy of theoretical predictions with recent experimental values for H2 and D2. While the theoretical accuracy is now significantly improved and is higher than the experimental one, we observe about 3σ discrepancy for the dissociation energy of HD, which requires further investigation.

  • Figure
  • Received 5 June 2018

DOI:https://doi.org/10.1103/PhysRevLett.121.073001

© 2018 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

Mariusz Puchalski1, Anna Spyszkiewicz1, Jacek Komasa1, and Krzysztof Pachucki2

  • 1Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 Poznań, Poland
  • 2Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw, Poland

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Issue

Vol. 121, Iss. 7 — 17 August 2018

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