AffiliationUniv Arizona, Dept Phys
Univ Arizona, Dept Chem & Biochem
MetadataShow full item record
PublisherAMER PHYSICAL SOC
CitationLowest 2 S Electronic Excitations of the Boron Atom 2017, 118 (4) Physical Review Letters
JournalPhysical Review Letters
Rights© 2017 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.
AbstractA theoretical ab initio approach for calculating bound states of small atoms is developed and implemented. The approach is based on finite-nuclear-mass [non-Born-Oppenheimer (non-BO)] nonrelativistic variational calculations performed with all-particle explicitly correlated Gaussian functions and includes the leading relativistic and quantum electrodynamics energy corrections determined using the non-BO wave functions. The approach is applied to determine the total and transition energies for the lowest four S-2 electronic excitations of the boron atom. The transition energies agree with the available experimental values within 0.2-0.3 cm(-1). Previously, such accuracy was achieved for three-and four-electron systems.
VersionFinal published version
SponsorsMinistry of Education and Science of Kazakhstan; National Science Foundation