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20242026
most citedPredicting electronic screening for fast Koopmans spectral functional calculations

4 citations · 4 across the 4 of their papers we have counts for

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cond-mat.str-el2026

Development of ab initio Hubbard parameter calculation schemes in the k-point sampling real-time TDDFT program in CP2K

Kota Hanasaki, Sandra Luber

We implemented ab initio Hubbard parameter calculation schemes in the k-point sampling real-time TDDFT (RT-TDDFT) program in CP2K. We propose a new linear-response-based calculatio…

physics.chem-ph2026

Stable, Fast, and Accurate Kohn-Sham Inversion in Gaussian Basis for Open Shell Molecular and Condensed Phase Systems via Density Matrix Penalization

Ziwei Chai, Sandra Luber

Here we present a density matrix based KS inversion method formulated entirely within a Gaussian basis representation to optimize a KS potential matrix that reproduces a target ele…