Non-collinear DFT on Cr8 and V8 rings shows biquadratic and DM interactions are essential beyond Heisenberg exchange, with best experimental agreement from extended Hubbard functionals and clear curvature dependence versus linear chains.
A density-functional study of heterometallic Cr-based molecular rings.The Journal of Physical Chemistry B, 114(46):14797–14806
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Magnetic interactions and spin orders in Cr$_8$ and V$_8$ ring-shaped molecular magnets from non-collinear ab initio calculations
Non-collinear DFT on Cr8 and V8 rings shows biquadratic and DM interactions are essential beyond Heisenberg exchange, with best experimental agreement from extended Hubbard functionals and clear curvature dependence versus linear chains.