2 papers
physics.chem-ph2026
Locally Scaled Self-Interaction Corrected Energy Functionals with Complex Optimal Orbitals
Jukka John, Hlynur Guðmundsson, Iðunn Björg Arnaldsdóttir +2
We present a fully variational locally scaled self-interaction corrected (SIC) energy functional using complex optimal orbitals. This represents an important milestone for fully va…
cond-mat.mtrl-sci2025
Network of localized magnetic textures revealed using a saddle-point search framework
Hendrik Schrautzer, Tim Drevelow, Hannes Jónsson +1
A computational framework is presented for the sampling of the energy surface of magnetic systems via the systematic identification of first-order saddle points that determine conn…