Litcius/Paper detail

Advances in modelling X-ray absorption spectroscopy data using reverse Monte Carlo

Andrea Di Cicco, Fabio Iesari

2022Physical Chemistry Chemical Physics14 citationsDOIOpen Access PDF

Abstract

molecular gases, crystalline Ge and AgBr, amorphous Ge and liquid AgBr. Those applications show the general interest for this method, and the importance of combining multiple set of data for improving the accuracy of the structural refinement both at short and long range.

Topics & Concepts

Reverse Monte CarloExtended X-ray absorption fine structureX-ray absorption fine structureMonte Carlo methodAnomalous scatteringAbsorption (acoustics)Statistical physicsComputational physicsMaterials scienceDiffractionSpectroscopyChemistryPhysicsAbsorption spectroscopyOpticsMathematicsStatisticsQuantum mechanicsNeutron diffractionX-ray Spectroscopy and Fluorescence AnalysisX-ray Diffraction in CrystallographyThermal Expansion and Ionic Conductivity