资历数和离子度概念的推广
Generalization of the concepts of seniority number and ionicity
摘要：
我们提出了广义版本的概念的资历数和离子性。这些广义数分别计算了部分占据和完全占据的壳层，用于将轨道空间划分为壳层。引入了特征空间对应于具有确定广义资历或电离度值的波函数的厄米特算子。广义年资数（GSN）提供了在固定的普通年资内建立精细的配置相互作用（CI）空间层次。巴克敏斯特富勒烯分子就是这样一个层次结构。
英文摘要：
We present generalized versions of the concepts of seniority number and ionicity. These generalized numbers count respectively the partially occupied and fully occupied shells for any partition of the orbital space into shells. The Hermitian operators whose eigenspaces correspond to wave functions of definite generalized seniority or ionicity values are introduced. The generalized seniority numbers (GSNs) afford to establish refined hierarchies of configuration interaction (CI) spaces within those of fixed ordinary seniority. Such a hierarchy is illustrated on the buckminsterfullerene molecule.
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