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The contribution of static and thermal disorder is one of the largestchallenges for the accurate determination of the atomic structure from theextended X-ray absorption fine structure (EXAFS). Although there are a numberof generally accepted approaches to solve this problem, which are widely usedin the EXAFS data analysis, they often provide less accurate results whenapplied to outer coordination shells around the absorbing atom. In this case,the advanced techniques based on the molecular dynamics and reverse Monte Carlosimulations are known to be more appropriate: their strengths and weaknessesare reviewed here.

Treatment of disorder effects in X-ray absorption spectra beyond the conventional approach