1 Erratum to: Theor Chem Acc DOI 10.1007/s00214-010-0871-y

Due to publisher’s error that occurred at the typesetting stage and which was not corrected at the proof stage, reference 81 was inadvertently deleted with the result that references 81–104 should be 82–105, with reference 81 being

Bulat FA, Toro-Labbe A, Champagne B, Kirtman B, Yang W (2005) J Chem Phys 123:014319

The only reference in the text that then needs to be changed is reference 104 (above Sect. 5 Concluding remarks) which should then be reference 105. The corrected line is given below:

These properties will be reintroduced well by the complete active space (CAS)-DFT method [94–105].

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