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

Abstract

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
Volume730
DOIs
StatePublished - Sep 1 2019

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Rydberg series
Lithium
lithium
Rydberg states
Atoms
Electrons
center of mass
atoms
density distribution
electrons
nuclei
energy

ASJC Scopus subject areas

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

Cite this

The 2S Rydberg series of the lithium atom. Calculations with all-electron explicitly correlated Gaussian functions. / Bralin, Amir; Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik.

In: Chemical Physics Letters, Vol. 730, 01.09.2019, p. 497-505.

Research output: Contribution to journalArticle

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