单双激发耦合团簇方法的四阶微扰推广,第II部分:角度约化
Fourth-order perturbative extension of the single-double excitation coupled-cluster method, Part II: Angular reduction
摘要:
我们列出了在[A]中导出的单价原子矩阵元的角度约化的四阶多体修正。Derevianko和E.D. Emmons,Phys.Rev.A65,052115(2002)]。特别是,我们专注于实际上重要的图表互补的耦合集群方法截断在单一和双重激励。借助符号代数软件,对大量图形进行了推导和角度归约。
英文摘要:
We tabulate angularly reduced fourth-order many-body corrections to matrix elements for univalent atoms, derived in [A. Derevianko and E.D. Emmons, Phys. Rev. A 65, 052115 (2002)]. In particular we focused on practically important diagrams complementary to those included in the coupled cluster method truncated at single and double excitations. The derivation and angular reduction of the large number of diagrams have been carried out with the help of symbolic algebra software.
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