Published in

IOP Publishing, Journal of Physics B: Atomic, Molecular and Optical Physics, 2(54), p. 025003, 2020

DOI: 10.1088/1361-6455/abcd21

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Accurate atomic momentum integrals and Compton profiles

Journal article published in 2020 by Beatriz Miguel, Rafael Lopez, Jose M. Garcia de la Vega ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Abstract Analytical expressions for integrals involving momentum density have been developed, and an algorithm for the efficient computation of Compton profiles (CPs) based in those equations is reported. The performance of the algorithm is tested by computing the CPs of atoms from helium to xenon for a wide range of incident photon energies. Calculations have been made at Hartree–Fock level (HF), using three different Slater basis sets, showing a good agreement with the experimental results.