Benchmark for Ab Initio Prediction of Magnetic Structures Based on Cluster-Multipole Theory
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DOI: 10.1103/physrevx.11.011031
Abstract: The cluster multipole (CMP) expansion for magnetic structures provides a scheme to systematically generate candidate magnetic structures specifically including noncollinear magnetic configurations adapted to the crystal symmetry of a given material. A comparison with the… read more here.
Keywords: theory; benchmark; magnetic structures; cluster multipole ... See more keywords