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prune-pcseg-X basis sets

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posted on 2025-05-09, 12:04 authored by Henryk Sebastian Laqua, Linus Dittmer, Martin Head-Gordon
Gaussian-type Definition of prune-pcseg-X basis sets

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    DOI - Is supplement to The Conundrum of Diffuse Basis Sets: A Blessing for Accuracy yet a Curse for Sparsity

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    Journal of Chemical Physics

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    Chemical Benchmark DataBasis set definition

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