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physics.comp-ph2026
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…
physics.comp-ph2025
A high-order regularized delta-Chebyshev method for computing spectral densities
Jinjing Yi, Daniel Massatt, Andrew Horning +3
We introduce a numerical method for computing spectral densities, and apply it to the evaluation of the local density of states (LDOS) of sparse Hamiltonians derived from tight-bin…