Open AccessOn the Einstein model for EXAFS parallel and perpendicular mean‐square relative displacements
Author(s) -
Sanson A.
Publication year - 2008
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049508017688
Subject(s) - extended x ray absorption fine structure , einstein , standard deviation , mean square , perpendicular , square (algebra) , physics , mean squared error , function (biology) , mean squared displacement , computational physics , atomic physics , statistical physics , classical mechanics , optics , mathematical analysis , quantum mechanics , statistics , mathematics , molecular dynamics , geometry , absorption spectroscopy , evolutionary biology , biology
The correlated Einstein model for EXAFS parallel and perpendicular mean‐square relative displacements (MSRDs) is discussed. By means of dynamical simulations on different crystalline structures, the error owing to the Einstein‐fit model on the EXAFS MSRDs is estimated as a function of the standard deviation of the density of vibrational states. This error should be taken into account to improve the accuracy of the MSRDs.