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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2005677462> ?p ?o ?g. }

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• W2005677462 abstract "We propose a structure for the self-trapped exciton in ensuremath{alpha}-quartz on the basis of ab initio Hartree-Fock cluster calculations. It involves the displacement of a single oxygen atom in a direction nearly parallel to the hexagonal axis so that the shorter of its two silicon-oxygen bonds is lengthened. The energy and polarization of the recombination luminescence, the fine-structure parameters of the triplet state, and the magnitude and sign of the transient volume change induced by self-trapping are all correctly predicted. The calculations show no evidence for hole self-trapping in a similar geometry." @default.
• W2005677462 created "2016-06-24" @default.
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• W2005677462 date "1990-05-28" @default.
• W2005677462 modified "2023-09-27" @default.
• W2005677462 title "Structure of the self-trapped exciton in quartz" @default.
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• W2005677462 doi "https://doi.org/10.1103/physrevlett.64.2667" @default.
• W2005677462 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/10041779" @default.
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