Erratum to: Long-range corrected DFT calculations of charge-transfer integrals in model metal-free phthalocyanine complexes

Erratum to: J Mol Model

DOI 10.1007/s00894-010-0865-7

The original version of this article unfortunately contained a mistake. The fifth to thirteenth line below Equation 11 at page 6 should be:

For the intermolecular distance 3.5 Å, the rotation angle 0 and lateral slide 1.5 Å (this is the structure similar to the crystal structure of the phthalocyanine) the charge-transfer integrals calculated with B3LYP and CAMB3LYP functional are -0.046 eV and -0.053 eV respectively. The charge carrier mobility values calculated from Eq. 11 for this two charge-transfer integrals are 0.32 cm² /Vs and 0.43 cm² /Vs.