AffiliationUniv Arizona, Dept Phys
Univ Arizona, Dept Chem & Biochem
MetadataShow full item record
PublisherAMER PHYSICAL SOC
CitationHornyák, I., Adamowicz, L., & Bubin, S. (2019). Ground and excited S 1 states of the beryllium atom. Physical Review A, 100(3), 032504.
JournalPHYSICAL REVIEW A
RightsCopyright © 2019 American Physical Society
Collection InformationThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at firstname.lastname@example.org.
AbstractBenchmark 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.
VersionFinal published version
SponsorsMinistry of Education and Science of Kazakhstan (state-targeted program "Center of Excellence for Fundamental and Appied Physics") [BR05236454]; Nazarbayev University faculty development grant [090118FD5345]; National Science FoundationNational Science Foundation (NSF)