Rovibrational energy levels of the hydrogen molecule through nonadiabatic perturbation theory

Jacek Komasa, Mariusz Puchalski, Paweł Czachorowski, Grzegorz Łach, and Krzysztof Pachucki
Phys. Rev. A 100, 032519 – Published 30 September 2019

Abstract

We present an accurate theoretical determination of rovibrational energy levels of the hydrogen molecule and its isotopologues in its electronic ground state. We consider all significant corrections to the Born-Oppenheimer approximation, obtained within nonadiabatic perturbation theory, including the mixed nonadiabatic-relativistic effects. Quantum electrodynamic corrections in the leading α5m and the next-to-leading α6m orders, as well as finite nuclear size effect, are also taken into account but within the Born-Oppenheimer approximation only. Final results for the transition wavelength between rovibrational levels achieve accuracy of the order of 103107cm1, and are provided by simple to use computer code.

  • Received 26 July 2019

DOI:https://doi.org/10.1103/PhysRevA.100.032519

©2019 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

Jacek Komasa and Mariusz Puchalski

  • Faculty of Chemistry, Adam Mickiewicz University, Uniwersytetu Poznańskiego 8, 61-614 Poznań, Poland

Paweł Czachorowski, Grzegorz Łach, and Krzysztof Pachucki

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

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Issue

Vol. 100, Iss. 3 — September 2019

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