晶体场理论

根据晶体场理论研究了光谱特性，初步确定出Ni~（2+）在BeAl2O4晶体中的能级结构，讨论了BeAl2O4：Ni~（2+）晶体成为终端声子可调谐激光晶体的可能性。

According to crystal field theory , the spectral performances have been studied , the energy level of Ni ~ ( 2 + ) ions in Be Al_2O_4 has been established primarily . BeAl_2O_4 : Ni ~ ( 2 + ) as a potential phonon-terminated laser crystal has been discussed .

试论价键理论和晶体场理论的统一性

Unitarity of valence bond theory and crystal field theory

由物质呈色的晶体场理论得出，24Bi2O3·ZnO化合物和ZnO固溶体呈现颜色是由于它们晶体场分裂能的变化造成的。

By the crystalline field theory , the color of 24Bi_2O_3 · ZnO and ZnO ( ss ) resulted from the change of their crystalline field split energy .

绿色呈色机理可以用致色离子的晶体场理论进行解释。

The green color-causing mechanism can be explained by the crystal field theory .

这与用晶体场理论和光谱实验观测解释的呈色机制是一致的。

The crystal field and the spectrum experiment analysis get the coincident conclusion .

用晶体场理论对体系的电子结构作了解释。

The change of the electronic structure has been discussed in terms of the crystal field theory .

本文运用晶体场理论研究了Cu~（2+）在黑云母中的富集和稳定性。

This paper discusses the enrichment and stability of Cu2 + in biotite on the basis of the crystal-field theory .

晶体场理论计算能量哈密顿矩阵中为零矩阵元的判别

The Judgment of the Element to be Zero in Calculating the Energy - Hamiltonian - Matrix in the Crystal - field Theory

晶体场理论的主要缺点是忽略了配位原子的价层电子结构特征，因而不能解释光谱化学序列。

The main objection of crystal field theory is that it can not explain spectrochemical order because it ignores the valence shell electronic structural character of the coordination atoms .

基于晶体场理论，系统地给出了铁族离子32个点群的晶场势，并研究了坐标系取法不同时晶场势的变化。

Base on the crystal-field theory , all of the crystal-field potentials of32point-group are given for family iron ions and the relationships of which with different coordinate-system are studied .

本文提出了一种计算铬尖晶石阳离子占位稳定能的物理模型，它的理论基础是经典力学和量子力学，这种模式包括了晶体场理论和分子轨道理论。

A physical model for calculating cation stabilization energies in chrome spinels has been proposed . Based on classical and quantum mechanics , this model embodies the crystal field theory and the molecular orbital theory .

此外，在低温下发现了一个Fe~（2+）吸收峰，根据晶体场理论判定为Fe~（2+）的~5E→~3T1跃迁吸收峰。

In addition , at low temperature an absorption peak of Fe ~ ( 2 + ) has been found , which can be attributed to the transition ~ 5E → ~ 3T_1 in the light of the crystal field theory .