Abstract: Taking the effect of centre symmetric ligand field into account, we have proposed 3d-radial wave function which is in the bound state and consists of different bases. The crystalline spectra of some complex compound ions are calculated by using this wave function. If the suitable boundary conditions are considered, we can input a parameter and get the result in agreement with the experimental crystalline spectra. The essence of our method is that, on the base of the crystal field model for point charge, the effect of molecule orbit is considered partly for the centrally symmetric field of coordination bodies. This mix bases wave function which is suggested by us applies to all central transition metal ions of complexes which have suitable symmetry, If the interactions between the valence electrons of metal ion are omitted, this mix bases single electron 3d-radial wave function can be used to calculate molecular trajectory as well.