Matter-positronium interaction: An exact diagonalization study of the He atom - positronium system

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en Zubiaga, A. Tuomisto, F. Puska, M.J. 2017-06-20T11:13:37Z 2017-06-20T11:13:37Z 2012-05
dc.identifier.citation Zubiaga , A , Tuomisto , F & Puska , M J 2012 , ' Matter-positronium interaction: An exact diagonalization study of the He atom - positronium system ' PHYSICAL REVIEW A , vol 85 , no. 5 , 052707 , pp. 1-7 . DOI: 10.1103/PhysRevA.85.052707 en
dc.identifier.issn 1050-2947
dc.identifier.issn 1094-1622
dc.identifier.other PURE UUID: 0c84dbc9-e6e0-4fad-a3df-2559fa5acf37
dc.identifier.other PURE ITEMURL:
dc.identifier.other PURE FILEURL:
dc.description.abstract The many-body system comprising a He nucleus, three electrons, and a positron has been studied using an explicitly correlated Gaussians basis and a stochastic variational method for the optimization of the basis. The purpose has been to clarify to which extent the system can be considered as a distinguishable positronium (Ps) atom interacting with a He atom and, thereby, to pave the way to a practical atomistic modeling of Ps states and annihilation in matter. The maximum value of the distance between the positron and the nucleus is constrained and the Ps atom at different distances from the nucleus is identified from the electron and positron densities, as well as from the electron-positron distance and center-of-mass distributions. The polarization of the Ps atom increases as its distance from the nucleus decreases. The contact density of the electrons of He with the positron is depleted, particularly when the overlap is small. The ortho-Ps pick-off annihilation rate calculated as the overlap of the positron and the free He electron densities has to be corrected for the observed depletion, especially at large pores or voids. en
dc.format.extent 7
dc.format.extent 1-7
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries PHYSICAL REVIEW A en
dc.relation.ispartofseries Volume 85, 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 Matter-positronium interaction: An exact diagonalization study of the He atom - positronium system en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Department of Applied Physics
dc.subject.keyword helium
dc.subject.keyword positronium
dc.subject.keyword potential
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-201706205651
dc.identifier.doi 10.1103/PhysRevA.85.052707
dc.type.version publishedVersion

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