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dc.contributor.authorBubin, Sergiy
dc.contributor.authorAdamowicz, Ludwik
dc.date.accessioned2017-03-27T21:31:29Z
dc.date.available2017-03-27T21:31:29Z
dc.date.issued2017-01-27
dc.identifier.citationLowest 2 S Electronic Excitations of the Boron Atom 2017, 118 (4) Physical Review Lettersen
dc.identifier.issn0031-9007
dc.identifier.issn1079-7114
dc.identifier.pmid28186809
dc.identifier.doi10.1103/PhysRevLett.118.043001
dc.identifier.urihttp://hdl.handle.net/10150/622869
dc.description.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.
dc.description.sponsorshipMinistry of Education and Science of Kazakhstan; National Science Foundation [1228509]en
dc.language.isoenen
dc.publisherAMER PHYSICAL SOCen
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevLett.118.043001en
dc.rights© 2017 American Physical Societyen
dc.titleLowest 2 S Electronic Excitations of the Boron Atomen
dc.typeArticleen
dc.contributor.departmentUniv Arizona, Dept Physen
dc.contributor.departmentUniv Arizona, Dept Chem & Biochemen
dc.identifier.journalPhysical Review Lettersen
dc.description.collectioninformationThis 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 repository@u.library.arizona.edu.en
dc.eprint.versionFinal published versionen
refterms.dateFOA2018-06-25T23:47:55Z
html.description.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.


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