Article Dans Une Revue Journal of Physical Chemistry A Année : 2025

The “Bubblepole” (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting

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hal-05137513 , version 1 (01-07-2025)

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Frank Neese, Pauline Colinet, Bernardo Desouza, Benjamin Helmich-Paris, Frank Wennmohs, et al.. The “Bubblepole” (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting. Journal of Physical Chemistry A, 2025, 129 (10), pp.2618-2637. ⟨10.1021/acs.jpca.4c07415⟩. ⟨hal-05137513⟩
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