Abstract

The stability of ${\mathrm{C}}_{4\mathrm{N}+2}$ clusters is governed by many competitive factors, namely, second-order Jahn-Teller effect, H\"uckel aromaticity, dynamical and nondynamical electron correlations. The combined effect of all of the above factors suggests that structures with broken symmetry are more stable than their symmetric analog. The most important observation is that local density approximation to the correlation energy gives a negative contribution to the net stability of ${\mathrm{C}}_{4\mathrm{N}+2}$ clusters, whereas nondynamical correlation energy gives a large positive term. The results are very consistent and stable up to ${\mathrm{C}}_{22}$.

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