Abstract
AbstractThe antiferromagnetic crystal Cr2O3 contains magnetoactive ions Cr3+ and has C3v local symmetry. In this crystal exist cross‐effects, for example linear magnetoelectric effect and others. It is necessary to know the energy levels and wave functions of an ion Cr3+ exact simulation of this effect. In the present paper the problem of calculation of the crystalline field potential is solved in the single‐ion model. For Cr2O3 the splitting of energy levels are determined and wave functions for ground and exited states are calculated. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002
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