118 citations · 284 across the 26 of their papers we have counts for
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cond-mat.mtrl-sci2021★ 9 cited
A robust and efficient line search for self-consistent field iterations
Michael F. Herbst, Antoine Levitt
We propose a novel adaptive damping algorithm for the self-consistent field (SCF) iterations of Kohn-Sham density-functional theory, using a backtracking line search to automatical…
cond-mat.mtrl-sci2016★ 35 cited
Robust determination of maximally-localized Wannier functions
Éric Cancès, Antoine Levitt, Gianluca Panati +1
We propose an algorithm to determine Maximally Localized Wannier Functions (MLWFs). This algorithm, based on recent theoretical developments, does not require any physical input su…