Prediction of 2S Rydberg energy levels of 6Li and 7Li based on quantum-mechanical calculations performed with explicitly correlated Gaussian functions
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Date
2013
Authors
Bubin, Sergiy
Adamowicz, Ludwik
Journal Title
Journal ISSN
Volume Title
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Abstract
Accurate variational quantum-mechanical calculations are performed for the nine lowest 2S (1s2ns), n =
2, . . . ,10 states of the lithium atom. The effect of the finite nuclear mass is explicitly included in the calculations
allowing for the determination of the isotopic shifts of the energy levels. The wave functions of the states
are expanded in terms of all-electron explicitly correlated Gaussian functions and their exponential parameters
are variationally optimized with the aid of the analytical energy gradient determined with respect to those
parameters. The experimental results for the lower states (n = 3, . . . ,6) and the calculated results for the higher
states (n = 7, . . . ,10) fitted with quantum-defect-like formulas are used to predict the energies of 2S 1s2ns states
for 7Li and 6Li with n up to 30
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Keywords
Research Subject Categories::NATURAL SCIENCES::Physics, quantum-mechanical calculations
Citation
Sergiy Bubin, Ludwik Adamowicz; 2013; Prediction of 2S Rydberg energy levels of 6Li and 7Li based on quantum-mechanical calculations performed with explicitly correlated Gaussian functions; PHYSICAL REVIEW A