Full-correlation single-particle positron potentials for a positron and positronium interacting with atoms

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Zubiaga, A.
dc.contributor.author Tuomisto, F.
dc.contributor.author Puska, M.
dc.date.accessioned 2017-06-20T11:12:58Z
dc.date.available 2017-06-20T11:12:58Z
dc.date.issued 2014-05
dc.identifier.citation Zubiaga , A , Tuomisto , F & Puska , M 2014 , ' Full-correlation single-particle positron potentials for a positron and positronium interacting with atoms ' PHYSICAL REVIEW A , vol 89 , no. 5 , 052707 , pp. 1-9 . DOI: 10.1103/PhysRevA.89.052707 en
dc.identifier.issn 1050-2947
dc.identifier.issn 1094-1622
dc.identifier.other PURE UUID: 01c1919c-4eae-4340-bfad-f9ae087f16d8
dc.identifier.other PURE ITEMURL: https://research.aalto.fi/en/publications/fullcorrelation-singleparticle-positron-potentials-for-a-positron-and-positronium-interacting-with-atoms(01c1919c-4eae-4340-bfad-f9ae087f16d8).html
dc.identifier.other PURE LINK: http://arxiv.org/abs/1305.6809
dc.identifier.other PURE FILEURL: https://research.aalto.fi/files/13500310/PhysRevA.89.052707.pdf
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/26924
dc.description.abstract In this work, we define single-particle potentials for a positron and a positronium atom interacting with light atoms (H, He, Li, and Be) by inverting a single-particle Schrödinger equation. For this purpose, we use accurate energies and positron densities obtained from the many-body wave function of the corresponding positronic systems. The introduced potentials describe the exact correlations for the calculated systems including the formation of a positronium atom. We show that the scattering lengths and the low-energy s-wave phase shifts from accurate many-body calculations are well accounted for by the introduced potential. We also calculate self-consistent two-component density-functional-theory positron potentials and densities for the bound positronic systems within the local-density approximation. They are in a very good agreement with the many-body results, provided that the finite-positron-density electron-positron correlation potential is used, and they can also describe systems comprising a positronium atom. We argue that the introduced single-particle positron potentials defined for single molecules are transferable to the condensed phase when the intermolecular interactions are weak. When this condition is fulfilled, the total positron potential can be constructed in a good approximation as the superposition of the molecular potentials. en
dc.format.extent 9
dc.format.extent 1-9
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries PHYSICAL REVIEW A en
dc.relation.ispartofseries Volume 89, issue 5 en
dc.rights openAccess en
dc.subject.other 114 Physical sciences en
dc.subject.other 221 Nanotechnology en
dc.subject.other 214 Mechanical engineering en
dc.subject.other 218 Environmental engineering en
dc.title Full-correlation single-particle positron potentials for a positron and positronium interacting with atoms en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Department of Applied Physics
dc.subject.keyword atoms
dc.subject.keyword effective potential
dc.subject.keyword positron
dc.subject.keyword stochastic variational method
dc.subject.keyword 114 Physical sciences
dc.subject.keyword 221 Nanotechnology
dc.subject.keyword 214 Mechanical engineering
dc.subject.keyword 218 Environmental engineering
dc.identifier.urn URN:NBN:fi:aalto-201706205648
dc.identifier.doi 10.1103/PhysRevA.89.052707
dc.type.version publishedVersion

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