The 2S Rydberg series of the lithium atom. Calculations with all-electron explicitly correlated Gaussian functions

Amir Bralin, Sergiy Bubin, Monika Stanke, Ludwik Adamowicz

Research output: Contribution to journalArticle


In this work we report very accurate variational calculations of the twelve lowest 2S Rydberg states of the lithium atom performed with the finite-nuclear-mass (FNM) approach and with all-electron explicitly correlated Gaussian functions. The FNM non-relativistic variational energies of the states are augmented with the leading relativistic and QED corrections. The calculated transition energies are compared with the previous works (only eight states of the series were calculated before) and with the available experimental results. Density distributions of the electrons and the nucleus in the center-of-mass frame are also shown.

Original languageEnglish (US)
Pages (from-to)497-505
Number of pages9
JournalChemical Physics Letters
StatePublished - Sep 1 2019


ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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