Title : Development and Application of a Complete Active Space Spin-Orbit Configuration Interaction Program Designed for Single Molecule Magnets.

Pub. Date : 2022 Jan 5

PMID : 34505748






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1 We present a spin-orbit configuration interaction program which has been tailored for the description of the magnetic properties of polynuclear metal complexes with partially filled d- and f-shells. Metals spindlin 1 Homo sapiens