Five lowest S1 states of the Be atom calculated with a finite-nuclear-mass approach and with relativistic and QED corrections

Monika Stanke, Jacek Komasa, Sergiy Bubin, and Ludwik Adamowicz
Phys. Rev. A 80, 022514 – Published 25 August 2009

Abstract

We have performed very accurate quantum mechanical calculations of the five lowest S states of the beryllium atom. In the nonrelativistic part of the calculations we used the variational method and we explicitly included the nuclear motion in the Schrödinger equation. The nonrelativistic wave functions of the five states were expanded in terms of explicitly correlated Gaussian functions. These wave functions were used to calculate the leading α2 relativistic correction (α is the fine structure constant) and the α3 quantum electrodynamics (QED) correction. We also estimated the α4 QED correction by calculating its dominant component. A comparison of the experimental transition frequencies with the frequencies obtained based on the energies calculated in this work shows an excellent agreement.

  • Received 9 June 2009

DOI:https://doi.org/10.1103/PhysRevA.80.022514

©2009 American Physical Society

Authors & Affiliations

Monika Stanke1, Jacek Komasa2, Sergiy Bubin3,4, and Ludwik Adamowicz4,5

  • 1Institute of Physics, Nicholas Copernicus University, ul. Grudziadzka 5, PL 87-100 Toruń, Poland
  • 2Quantum Chemistry Group, Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland
  • 3Quantum Chemistry Research Institute, Kyodai Katsura Venture Plaza 106, Goryo Oohara 1-36, Nishikyo-ku, Kyoto 615-8245, Japan
  • 4Department of Chemistry, University of Arizona, Tucson, Arizona 85721, USA
  • 5Department of Physics, University of Arizona, Tucson, Arizona 85721, USA

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Issue

Vol. 80, Iss. 2 — August 2009

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