439 citations · 1.4k across the 47 of their papers we have counts for
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Sublinear scaling for time-dependent stochastic density functional theory
Yi Gao, Daniel Neuhauser, Roi Baer +1
A stochastic approach to time-dependent density functional theory (TDDFT) is developed for computing the absorption cross section and the random phase approximation (RPA) correlati…
Embedded fragment stochastic density functional theory
Daniel Neuhauser, Roi Baer, Eran Rabani
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact…
Breaking the theoretical scaling limit for predicting quasi-particle energies: The stochastic GW approach
Daniel Neuhauser, Yi Gao, Christopher Arntsen +3
We develop a formalism to calculate the quasi-particle energy within the GW many-body perturbation correction to the density functional theory (DFT). The occupied and virtual orbit…