Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/1450
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dc.contributor.authorNing, C.G.-
dc.contributor.authorRen, X.G.-
dc.contributor.authorDeng, J.K.-
dc.contributor.authorSu, G.L.-
dc.contributor.authorZhang, S.F.-
dc.contributor.authorKNIPPENBERG, Stefan-
dc.contributor.authorDELEUZE, Michael-
dc.date.accessioned2007-05-04T12:28:36Z-
dc.date.available2007-05-04T12:28:36Z-
dc.date.issued2006-
dc.identifier.citationCHEMICAL PHYSICS LETTERS, 421(1-3). p. 52-57-
dc.identifier.issn0009-2614-
dc.identifier.urihttp://hdl.handle.net/1942/1450-
dc.description.abstractResults of an experimental study of the valence electronic structure of difluoromethane employing high-resolution Electron Momentum Spectroscopy with various impact energies are reported. One-particle Green’s Function theory is utilized, for the first time, for computing accurate spherically averaged electron momentum distributions. These are derived from Dyson orbitals obtained using the third-order Algebraic Diagrammatic Construction (ADC(3)) scheme. The corresponding eigen-energies also accurately reproduce the (e, 2e) ionization spectrum. Shortcomings of empirical analyses of (e, 2e) experiments based on Kohn–Sham orbitals and eigen-energies are comparatively discussed. A failure of the target Hartree-Fock approximation is noted for the momentum distribution pertaining to the 1b1 + 3b2 + 5a1 levels.-
dc.language.isoen-
dc.publisherElsevier-
dc.titleProbing Dyson orbitals with Green’s Function theory and Electron Momentum Spectroscopy-
dc.typeJournal Contribution-
dc.identifier.epage57-
dc.identifier.issue1-3-
dc.identifier.spage52-
dc.identifier.volume421-
local.bibliographicCitation.jcatA1-
local.type.refereedRefereed-
local.type.specifiedArticle-
dc.bibliographicCitation.oldjcatA1-
dc.identifier.doi10.1016/j.cplett.2006.01.040-
dc.identifier.isi000236662600011-
item.validationecoom 2007-
item.fulltextNo Fulltext-
item.contributorZhang, S.F.-
item.contributorKNIPPENBERG, Stefan-
item.contributorRen, X.G.-
item.contributorNing, C.G.-
item.contributorSu, G.L.-
item.contributorDELEUZE, Michael-
item.contributorDeng, J.K.-
item.fullcitationNing, C.G.; Ren, X.G.; Deng, J.K.; Su, G.L.; Zhang, S.F.; KNIPPENBERG, Stefan & DELEUZE, Michael (2006) Probing Dyson orbitals with Green’s Function theory and Electron Momentum Spectroscopy. In: CHEMICAL PHYSICS LETTERS, 421(1-3). p. 52-57.-
item.accessRightsClosed Access-
crisitem.journal.issn0009-2614-
crisitem.journal.eissn1873-4448-
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