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We present results of an investigation of the electron structure of the Ce3+ impurity in the Lu2SiO5 crystal with allowance for lattice polarization and relaxation. The calculations were performed by invoking an embedded cluster technique based on a synthesis of the scattered wave method and the molecular statics method. A discussion is provided of the effect that the amount of defect‐produced lattice distortion has on calculation results.

Calculations are given for clusters, modeling the electronic structure of the oxygen vacancies in ZrO, crystals by means of the self-consistent scattered waves method. The crystalline cluster model is used for the description of the properties of a perfect crystal, while the properties of a defect are described by the embedded cluster model. Forming of vacancies in a ZrO, perfect crystal is shown to result in trapping of one or two electrons on a vacancy and forming of F + -and F-centers with local states in the perfect crystal energy gap. The characteristics obtained of the electronic structure of F + -and F-centers are in satisfactory accord with the known experimental data.

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