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physics.chem-ph2024
Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's Function
Leopoldo Mejía, Sandeep Sharma, Roi Baer +2
Stochastic orbital techniques offer reduced computational scaling and memory requirements to describe ground and excited states at the cost of introducing controlled statistical er…
cond-mat.mtrl-sci2024
Stochastic density functional theory combined with Langevin dynamics for warm dense matter
Rebecca Efrat Hadad, Argha Roy, Eran Rabani +2
This study overviews and extends a recently developed stochastic finite-temperature Kohn-Sham density functional theory to study warm dense matter using Langevin dynamics, specific…