Theoretical modeling of single molecule magnets

Ernest R. Davidson, University of Washington

Single molecule magnets usually have several transition metal centers with high spin. These spins couple together to form molecules with net magnetic moments. In some cases the zero field splitting leads to molecules that act like magnets, albeit with a Curie temperature below 5 K. Traditionally such molecules are described by an empirical exchange coupling between centers. Methods for extracting the spin and exchange parameters from calculations of the wave function and energy will be discussed.

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