Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Hund's rule Magnetism in C60 ions?   We investigate the occurrence of Hund's rule magnetism in C60(n+-) molecular
ions, by computing the ground-state spin for all charge states n from -3 to +5.
The two competing interactions, electron-vibration (e-v, including Jahn Teller,
favoring low spin) and electron-electron (e-e, including Hund-rule exchange,
favoring high spin), are accounted for based on previously computed ab-initio
coupling parameters. Treating the ion coordinates as classical, we first
calculate and classify the static Jahn-Teller distorted states for all n,
inclusive of both e-v and e-e effects. We then correct the adiabatic result by
including the zero-point energy lowering associated with softening of
vibrations at the adiabatic Jahn-Teller minima. Our overall result is that
while, like in previous investigations, low-spin states prevail in negative
ions, Hund's rule high spin dominates all positive C60(n+) ions. This suggests
also that Hund-rule magnetism could arise in fullerene cation-based solid state
compounds, particularly those involving C60(2+).

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The categories of this paper are: adap-org
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The categories of this paper are: nucl-ex
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The categories of this paper are: comp-gas
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The categories of this paper are: stat
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The categories of this paper are: hep-th
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The categories of this paper are: q-fin
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The categories of this paper are: chao-dyn
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The categories of this paper are: patt-sol
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The categories of this paper are: solv-int
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The categories of this paper are: dg-ga
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The categories of this paper are: nucl-th
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The categories of this paper are: nlin
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The categories of this paper are: ao-sci
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The categories of this paper are: hep-lat
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The categories of this paper are: cs
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The categories of this paper are: atom-ph