基于点偶极模型的原子和原子团统计无序排列晶体光学性质的理论模拟
The theoretical simulation of optical properties of crystals with statistically disordered arrangement of atoms and atomic groups on the basis of point-dipole model
摘要：
利用点偶极模型对18种矿物的主折射率和折射率体取向进行了理论计算。所研究矿物的特征是CO_3、SO_4、SO_2、PO_4基团和分离离子的统计无序排列。计算结果表明，单轴矿物的光学性质和斜方、单斜矿物的光率体取向与实验定义一致。
英文摘要：
With using of point-dipole model the theoretical calculations of main refractive indices and orientation of indicatrix of 18 minerals are performed. The feature of studied minerals is the statistically disordered arrangement of CO3, SO4, SO2, PO4 groups and also separate ions. The optical characters of uniaxial minerals and orientation of indicatrix of orthorhombic and monoclinic minerals, obtained by results of calculations, agree with experimental definitions.
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