Descriptor for positron binding to atoms

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dc.creatorPaulo Henrique Ribeiro Amaral
dc.creatorJosé Rachid Mohallem
dc.date.accessioned2024-02-16T18:00:23Z
dc.date.accessioned2025-09-09T00:01:45Z
dc.date.available2024-02-16T18:00:23Z
dc.date.issued2021
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
dc.identifier.doihttps://doi.org/10.1103/PhysRevA.104.042808
dc.identifier.issn2469-9934
dc.identifier.urihttps://hdl.handle.net/1843/64085
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofPhysical Review A
dc.rightsAcesso Restrito
dc.subjectEstrutura molecular
dc.subjectEstrutura atômica
dc.subject.otherMolecular structure
dc.subject.otherAtomic structure
dc.titleDescriptor for positron binding to atoms
dc.typeArtigo de periódico
local.citation.epage042808-9
local.citation.issue4
local.citation.spage042808-1
local.citation.volume104
local.description.resumoSystematic theoretical data of positron binding to atoms [C. Harabati, V. A. Dzuba, and V. V. Flambaum, Phys. Rev. A 89, 022517 (2014)] are handled by machine learning techniques. Despite the existence of unsystematic errors in the calculations, it becomes possible to identify, through bound-unbound classification, a descriptor as a function of just the polarizability and ionization potential of the isolated atoms. Details of the bonding mechanism appear to be less relevant and the binding seems to be described by simply these two atomic properties, with large predominance of the polarizability. The descriptor is shown to be useful in the discrimination of binding energies of atoms with approximately equal polarizabilities as well as to correct some possibly wrong energy data. Identified arguably wrong cases are withdrawn from the data set so that an adjusted simple relation for the binding energy as a function of the descriptor is obtained, allowing corrections and predictions of binding energies extended to atoms up to Rf (104), except lanthanides and actinides.
local.identifier.orcidhttps://orcid.org/0000-0003-0799-4143
local.identifier.orcidhttps://orcid.org/0000-0002-4776-4417
local.publisher.countryBrasil
local.publisher.departmentICX - DEPARTAMENTO DE FÍSICA
local.publisher.initialsUFMG
local.url.externahttps://journals.aps.org/pra/abstract/10.1103/PhysRevA.104.042808

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