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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2078000104> ?p ?o ?g. }

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• W2078000104 startingPage "948" @default.
• W2078000104 abstract "An efficient local equation-of-motion method is introduced for calculations of the mean-square half-path-length fluctuations ${ensuremath{sigma}}_{j}^{2}$ in multiple-scattering x-ray-absorption fine-structure Debye-Waller factors in aperiodic systems. Given a few local force constants, the method yields ${ensuremath{sigma}}_{j}^{2}$ via projected densities of modes or via the displacement-displacement correlation function in real time, over a few vibration cycles. The calculation scales linearly with the system size and does not rely on any symmetry considerations. Sample applications are presented for crystalline Cu and Ge, and zinc tetraimidazole." @default.
• W2078000104 created "2016-06-24" @default.
• W2078000104 creator A5036260048 @default.
• W2078000104 creator A5050867789 @default.
• W2078000104 date "1999-01-01" @default.
• W2078000104 modified "2023-10-16" @default.
• W2078000104 title "Multiple-scattering x-ray-absorption fine-structure Debye-Waller factor calculations" @default.
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• W2078000104 doi "https://doi.org/10.1103/physrevb.59.948" @default.
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