Ground and excited S 1 states of the beryllium atom

István Hornyák, Ludwik Adamowicz, Sergiy Bubin

Research output: Contribution to journalArticle

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Abstract

Benchmark calculations of the total and transition energies of the four lowest S1 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 0.02-0.09cm-1 are well within the estimated error limits for the experimental values.

Original languageEnglish
Article number032504
JournalPhysical Review A
Volume100
Issue number3
DOIs
Publication statusPublished - Sep 4 2019

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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