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posted on 2025-02-04, 13:07 authored by Timo Weckman
Information on the convergence of the FDM procedure with respect to numerical parameters and the dispersal basis, dispersion coefficients when using the Kohn--Sham pair density, comparison of the multipole moment integrals between the Becke--Roussel FDM and CCSD, the multipole moment integrals for the Becke--Roussel FDM with varying scaling values, and information on how to reproduce the results are given in the supplementary material.

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    Journal of Chemical Physics

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