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Supplement Information for "Multi-center decomposition of molecular densities: A numerical perspective"

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posted on 2025-02-18, 05:07 authored by YingXing Cheng, Eric Cancès, Virginie Ehrlacher, Alston Misquitta, Benjamin Stamm
The Supplementary Material is a PDF document that includes the exponents and initial values for the Gaussian density basis used in both GISA and LISA methods, and the evolution of entropy for other molecules, which are not covered in the main text.

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    Journal of Chemical Physics

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