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most citedSaddle Point Search Algorithms for Variational Density Functional Calculations of Excited Electronic States with Self-Interaction Correction

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physics.comp-ph2024

Identification of mechanisms of magnetic transitions using an efficient method for converging on first order saddle points

Hendrik Schrautzer, Moritz Sallermann, Pavel F. Bessarab +1

A method for locating first order saddle points on the energy surface of a magnetic system is described and several applications presented where the mechanism of various magnetic t…