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Relativistic corrections for the ground electronic state of molecular hydrogen

Mariusz Puchalski, Jacek Komasa, and Krzysztof Pachucki
Phys. Rev. A 95, 052506 – Published 25 May 2017

Abstract

We recalculate the leading relativistic corrections for the ground electronic state of the hydrogen molecule using the variational method with explicitly correlated functions that satisfy the interelectronic cusp condition. The computational approach allowed for the control of the numerical precision, which reached about eight significant digits. More importantly, the updated theoretical energies became discrepant with the known experimental values and we conclude that the yet unknown relativistic recoil corrections might be larger than previously anticipated.

  • Received 13 April 2017

DOI:https://doi.org/10.1103/PhysRevA.95.052506

©2017 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

Mariusz Puchalski and Jacek Komasa

  • Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 Poznań, Poland

Krzysztof Pachucki

  • Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw, Poland

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Issue

Vol. 95, Iss. 5 — May 2017

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