Lower Rydberg 2 F states of the lithium atom: Finite-nuclear-mass calculations with explicitly correlated Gaussian functions

Keeper L. Sharkey, Ludwik Adamowicz

Research output: Contribution to journalArticle

Abstract

Variational non-relativistic calculations are performed for the four lowest Rydberg 2F states (1s2nf, n = 4,., 7) of the main isotope of the lithium atom (7Li). The finite-nuclear-mass approach is employed and the wave functions of the states are expanded in terms of all-electron explicitly correlated Gaussian function. A total of 140 Gaussians are used for each state. The calculated relative energy of the two lowest states is compared with the experimental value, which is the only value available in the literature. The two results agree within a few wavenumbers.

Original languageEnglish (US)
Pages (from-to)805-808
Number of pages4
JournalMolecular Physics
Volume112
Issue number5-6
DOIs
StatePublished - Mar 19 2014

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Rydberg states
Wave functions
Lithium
Isotopes
isotopes
lithium
wave functions
Electrons
Atoms
atoms
electrons
energy

Keywords

  • Electron correlation
  • Explicitly correlated Gaussian
  • Internal Hamiltonian
  • Lithium
  • Non-Born-Oppenheimer

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Biophysics
  • Molecular Biology

Cite this

Lower Rydberg 2 F states of the lithium atom : Finite-nuclear-mass calculations with explicitly correlated Gaussian functions. / Sharkey, Keeper L.; Adamowicz, Ludwik.

In: Molecular Physics, Vol. 112, No. 5-6, 19.03.2014, p. 805-808.

Research output: Contribution to journalArticle

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