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一些晶体中渗入少量过渡金属离子杂质常常是人们非常感兴趣的研究课题。Reynold 在77K测定了ZnWO_4中杂质Ni~(2+)离子的吸收光谱。Borromei于1981年用偏振光分别在4.2K,77K和室温测定了ZnWO_4:Ni~(2+)晶体的吸收光谱,并根据晶体的对称性对谱带作了理论解释和标定。但是由于采用了简单的对称性近似,略去了一些重要的相互作用,且没有使用确定的波函数,仅是用多参数来拟合实验数据,使理论存在明显缺陷。本文联系晶体的真实几何构型,用改进的SCF-3d轨函,仅用共价参数N和电偶极子
The infiltration of small amounts of transition metal ion impurities in some crystals is often a subject of great interest. Reynold at 77K measured ZnWO_4 impurity Ni 2+ ion absorption spectra. In 1981, Borromei measured the absorption spectra of ZnWO 4: Ni 2+ crystals with polarized light at 4.2K, 77K and room temperature, respectively, and theoretically explained and calibrated the bands according to their symmetry. However, due to the simple symmetry approximation, some important interactions are omitted, and the definite wave function is not used. Instead, the experimental data are fitted by multiple parameters, so that the theory has obvious defects. In this paper, the true geometrical configuration of the crystal is discussed. With the improved SCF-3d orbitals, only the covalent parameter N and the electric dipole