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math.NA2025
Energy-Adaptive Riemannian Conjugate Gradient Method for Density Functional Theory
Daniel Peterseim, Jonas Püschel, Tatjana Stykel
This paper presents a novel Riemannian conjugate gradient method for the Kohn-Sham energy minimization problem in density functional theory (DFT), with a focus on non-metallic crys…
math.NA2024
Riemannian optimisation methods for ground states of multicomponent Bose-Einstein condensates
R. Altmann, M. Hermann, D. Peterseim +1
This paper addresses the computation of ground states of multicomponent Bose-Einstein condensates, defined as the global minimiser of an energy functional on an infinite-dimensiona…