We present the state‐of‐the art of large scale computer modeling of electron and hole polarons in advanced ABO3perovskites performed by means of semi‐empirical quantum chemical (INDO) method. Our calculations confirm existence of the self‐trapped electron polarons in KNbO3, KTaO3, BaTiO3, and PbTiO3crystals. The self‐trapped electron is mostly localized on B‐type ion due to a combination of breathing and Jahn‐Teller modes of nearest 6 O ion displacements. The relevant lattice relaxation energies are typically 0.2–0.3 eV, whereas the optical absorption lies at 0.7–0.8 eV, respectively. The optical absorption energies for the electron polaron bound to cation impurity in KNbO3(0.88 eV) and hole polaron bound to K vacancy (≈ 1 eV) are also in a good agreement with the relevant experimental data. © 2003 American Institute of Physics