6个同科电子光谱项的推求

On the Inference of Spectral Term of Six Equivalent Electrons

光谱项的推求是原子物理学,结构化学中一项重要内容.对6个同科电子光谱项的推求,如果根据L-S耦合规则,通过常规列状态配置表的方法来确定谱项会较为繁琐复杂,操作难度大,并且效率较低,到目前为止尚没有较方便快捷的方法.针对这一问题,这里总结了6个同科电子光谱项推求的“删除法则”,并进行了理论证明.运用此法,可将6个同科电子形成的谱项中实际不存在的光谱项进行有效剔除,并能快速、准确的确定6个同科电子的光谱项,且使推求原子态光谱项的工作量大大缩减.文中具体应用此法,对同科电子d^(6),f^(6)组态在L-S耦合下形成的光谱项进行了检验,所得结果与以往文献报道结果一致.该方法将为6个同科电子光谱项的确定提供准确、快捷的途径.

The deductive method of spectral term is one of important research areas for structural chemistry and atomic physics.For the deduction of spectral term of six equivalent electrons,if the spectral terms are determined by the conventional method of listing status configuration stable according to L-S coupling rule,the conventional method would be complicated,difficult to operate and inefficient.So far,there is no more convenient and fast method.To solve this problem,the delete principles of spectral terms of six equivalent electrons are summarized and proved theoretically.Using this method,the spectral terms that do not actually exist for six equivalent electrons can be effectively eliminated,and the spectral terms can be determined quickly and accurately,which greatly reduces the manual calculations of deriving the spectral terms of atomic states.Using this method,presently,the spectral terms formed by d^(6) and f^(6) equivalent electrons configurations under L-S coupling are tested,and the results are consistent with those reported in the previous literature.The current method will provide an accurate and fast way for the determination of spectral terms of six equivalent electrons.