Computationally inexpensive interpretation of magnetic data for finite spin clusters.
We show that high-temperature expansion of the partition function is a computationally convenient tool to interpretation of magnetic properties of spin clusters wherein the spin centers are interacting via an isotropic Heisenberg exchange operator. High-temperature expansions up to order 12 are used to reproduce temperature dependent magnetic susceptibilities of a Cr(III) tetramer, a decanuclear Fe(III) wheel, a 3x3 grid arrangement of nine Mn(II) ions, and a dodecanuclear Ni(II) wheel. Excellent agreement with experiments as well as with results from computationally more elaborate methods is achieved.
Thuesen
Christian Aagaard
CA
Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100, Copenhagen, Denmark.
Weihe
Høgni
H
Bendix
Jesper
J
Piligkos
Stergios
S
Mønsted
Ole
O