Table 1: Effect of basis set incompleteness on the evaluation of single and double AIEs of naphthalene and fluorene at the B3LYP level of theory, the reported values (in eV) do not include ZPE corrections.

Basis		 Naphthalene (C10H8) Fluorene (C13H10)
set single IE double IE single IE double IE
4-31G 7.61 20.75 7.38 19.72
6-31+G$^\star $ 7.80a, b 20.99b 7.56 19.96
cc-pVDZ 7.75c 20.95 7.51 19.89
cc-pVTZ 7.85c 21.09 7.61 20.04

Exp.		 8.144 $\pm$ 0.001d 21.5 $\pm$ 0.2e 7.91 $\pm$ 0.02d 21.0 $\pm$ 0.2e
a The use of the 6-31+G $^{\star\star}$ basis set (including polarisation functions on both C and H atoms) leads to the same value (Woon & Park 2004).
b Using the 6-311G $^{\star\star}$ basis set (which is supplemented with a third layer of valence functions and includes polarisation functions) Schröder et al. (2001) obtain 7.82 and 21.04, respectively.
c At the same level, Deleuze et al. (2003) report 7.75 and 7.83 eV.
d Recommended values (NIST Chemistry WebBook, Lias 2005).
e Derived from photon impact experiments (Tobita et al. 1994).

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