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20242026
most citedTensor hypercontraction for fully self-consistent imaginary-time GF2 and GWSOX methods: theory, implementation, and role of the Green's function second-order exchange for intermolecular interactions

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physics.comp-ph2025

Interpolative separable density fitting on adaptive real space grids

Hai Zhu, Chia-Nan Yeh, Miguel A. Morales +3

We generalize the interpolative separable density fitting (ISDF) method, used for compressing the four-index electron repulsion integral (ERI) tensor, to incorporate adaptive real…