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Electronic structures and optical absorption spectra of S-doped anatase TiO(2) are calculated by means of the first-principles pseudopotential total energy method. Electronic structure analyses demonstrate that isolated S 3p states which appear on the upper edge of the valence band cause the narrowing of the band gap of S-doped TiO(2). These changes of electronic structure exert great influence on the optical responses of S-doped TiO(2). Our results are in line with recent experimental observations that the redshift of optical absorption could be attributed to these isolated S 3p states on the upper edge of the valence band of S-doped TiO(2). (C) 2009 Elsevier Ltd. All rights reserved.