Accurate atomic momentum integrals and Compton profiles

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...

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Bibliographic Details
Published in:Journal of physics. B, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2020-01, Vol.54 (2), p.25003
Main Authors: Miguel, Beatriz, López, Rafael, García de la Vega, José M
Format: Article
Language:English
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Summary: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.
ISSN:0953-4075
1361-6455
DOI:10.1088/1361-6455/abcd21