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By using the group-chain, the wavefunctions of the 4f〓 configuration for RE ions are also expressed as linear combinations of group-chain basis functions in Butler's irreducible representation notation. The matrix elements of the CF Hamiltonian then are calculated by means of the Wigner-Eckart theorem and factorization lemma of the jm factors. Before the CF level fitting, a point-charge calculation of the conventional CF parameters B〓 has been performed by means of the lattice-sum technique from the known crystal structure data. The corresponding parameters in the group-chain are calculated by the conversion relationship between two schemes that proved identical in essence, which are usually used as initial values in the fit to the experimental levels. The ratios of the same k-value CF parameters are suggested as the constraint conditions in the fit, in order to utilize fully the symmetry distortion degree of the studied system.
利用群链理论,属稀土离子4f〓组态的波函数表示为以不可约表示标记的群链基波函数的线性组合;借助Wigner-Eckart定理和2jm和3jm因子的分解定律计算了晶场哈密顿的矩阵元;根据点电荷模型和已知晶体结构数据,利用点阵求和技术计算得到传统晶场参数B〓初值,相应的非传统形式的群链参数初值则由两种方案下的转换关系求得;这些初值通常作为非线性拟合晶场能级计算的初值,系统的对称性畸变信息则反映在以同阶晶场参数的比值作为能级拟合的约束条件。
- 更多网络解释与畸变定理相关的网络解释 [注:此内容来源于网络,仅供参考]
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distortion angle:畸变角
distortion 畸变 | distortion angle 畸变角 | distortion theorem 畸变定理
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distortion theorem:畸变定理
distortion angle 畸变角 | distortion theorem 畸变定理 | distortionless 无畸变的
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distortion theorem:歪曲定理
(由)热处理畸变 distortion in heat treatment | 歪曲定理 distortion theorem | 无畸变条件 distortionless condition