Ground and excited S-1 states of the beryllium atom
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Date
2019-09-04
Authors
Hornyak, Istvan
Adamowicz, Ludwik
Bubin, Sergiy
Journal Title
Journal ISSN
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Publisher
American Physical Society
Abstract
Benchmark calculations of the total and transition energies of the four lowest S-1 states of the beryllium atom are performed. The computational approach is based on variational calculations with finite mass of the nucleus. All-particle explicitly correlated Gaussian (ECG) functions are used to expand the total non-Born-Oppenheimer nonrelativistic wave functions and the ECG exponential parameters are optimized using the standard variational method. The leading relativistic and quantum electrodynamics energy corrections are calculated using the first-order perturbation theory. A comparison of the experimental transition frequencies with the ones calculated in this work shows excellent agreement. The deviations of 0.02-0.09 cm(-1) are well within the estimated error limits for the experimental values.
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Citation
Hornyák, I., Adamowicz, L., & Bubin, S. (2019). Ground and excited S 1 states of the beryllium atom. Physical Review A, 100(3), 032504.