High – order anharmonic effective potentials and EXAFS cumulants of Nickel crystal by quantum perturbation theory
DOI:
https://doi.org/10.51453/2354-1431/2018/265Keywords:
EXAFS cumulants; quantum perturbation theory; Nickel crystals.Abstract
High-order anharmonic effective potentials and four EXAFS cumulants have been studied taking into account the influence of the nearest neighbors of absorbing and backscattering atoms by the anharmonic correlated Einstein model. Analytical expressions of these quantities have calculated based on the quantum-statistical perturbation theory derived from a Morse interaction potential expanded in the fourth order which influences from the 2ndto the 4th cumulants. Numerical results for Ni are found to be in good agreement with experiment and the classical theory
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