Dresden 2003 – scientific programme

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MA: Magnetismus

MA 23: Bio-und molekularer Magnetismus

MA 23.7: Talk

Thursday, March 27, 2003, 11:45–12:00, HSZ/401

Evaluation of the low-lying energy spectrum of magnetic Keplerate molecules with DMRG — •Matthias Exler and Jürgen Schnack — Universität Osnabrück, Fachbereich Physik, Barbarastr. 7, 49069 Osnabrück

We apply the density-matrix renormalization group technique to magnetic molecules in order to evaluate the low-lying energy spectrum. In particular, we investigate the giant Keplerate molecule {Mo₇₂Fe₃₀}, where 30 Fe³⁺ ions (spins 5/2) occupy the sites of an icosidodecahedron and interact via nearest-neighbor antiferromagnetic Heisenberg exchange.

We apply a DMRG algorithm to {Mo₇₂Fe₃₀} and calculate an approximation of the lowest energy levels in the subspaces of total magnetic quantum number. The results prove the existence of a lowest rotational band, which was predicted in a previous paper.