Refinement of the experimental energy levels of higher 2D Rydberg states of the lithium atom with very accurate quantum mechanical calculations

Keeper L. Sharkey, Sergiy Bubin, Ludwik Adamowicz

Research output: Contribution to journalArticle

20 Scopus citations

Abstract

Very accurate variational non-relativistic calculations are performed for four higher Rydberg 2D states (1s2nd1, n 8, , 11) of the lithium atom (7Li). The wave functions of the states are expanded in terms of all-electron explicitly correlated Gaussian functions and finite nuclear mass is used. The exponential parameters of the Gaussians are optimized using the variational method with the aid of the analytical energy gradient determined with respect to those parameters. The results of the calculations allow for refining the experimental energy levels determined with respect to the 2S 1s22s1 ground state.

Original languageEnglish (US)
Article number194114
JournalJournal of Chemical Physics
Volume134
Issue number19
DOIs
StatePublished - May 21 2011

ASJC Scopus subject areas

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

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