We employ tensor network methods for the study of the seniority quantum number -- defined as the number of unpaired electrons in a many-body wave function -- in molecular systems. Seniority-zero methods recently emerged as promising candidates to treat strong static correlations in molecular systems, but are prone to deficiencies related to dynamical correlation and dispersion. We systematically resolve these deficiencies by increasing the allowed seniority number using tensor network methods. In particular, we investigate the number of unpaired electrons needed to correctly describe the binding of the neon and nitrogen dimer and the $D_{6h}$ symmetry of benzene.

中文翻译：

---

张量网络状态中的资历量子数

我们使用张量网络方法研究分子系统中的资历量子数-定义为多体波函数中未成对电子的数量。零资历方法最近成为治疗分子系统中强静态相关性的有前途的候选方法，但易于出现与动态相关性和分散性相关的缺陷。我们通过使用张量网络方法增加允许的工龄数来系统地解决这些缺陷。特别是，我们研究了正确描述氖和氮二聚体的结合以及苯的$ D_ {6h} $对称性所需的不成对电子的数量。