BeCl中Be原子核模拟矩相互作用的相关趋势

Y. Hao, M. Iliaš, A. Borschevsky
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引用次数: 0

摘要

违反宇称的核拟极点矩效应可以作为检验核模型和深入了解核结构的工具。像BeCl这样的双原子分子被认为是寻找核偶极矩效应的良好候选者,因为这类分子具有接近的分子水平和相反的偶极矩,在外场中很容易发生简并,导致微小的偶极矩违反效应的急剧放大。为了有效地解释精密测量的结果,需要对依赖于分子结构的违反宇称相互作用参数WA进行高精度计算。本文采用各种电子相关方法计算了BeCl中Be原子的WA参数,如开壳层单行动式平均构型dirac - har树- fock (DHF)、相对论密度泛函理论(DFT)、二阶m - ller- plesset方法(MP2)、单、双、微扰三重激发的相对论耦合簇法(CCSD和CCSD(T))。研究和讨论了电子相关系数对计算出的微波参数的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Correlation trends in the nuclear anapole moment interaction of the Be atom in BeCl
The parity-violating nuclear anapole moment effect can be used as a tool to test nuclear models and gain deep understanding of nuclear structure. Diatomic molecules such as BeCl are considered as good candidates in search for the nuclear anapole moment effect, because such molecules have close-lying molecular levels with opposite parity, where degeneracy can very easily occur in external fields, leading to a dramatic amplification of the tiny parity-violating effect. In order to interpret the results of precision measurements effectively, a parity-violating interaction parameter WA, which depends on molecular structure, needs to be calculated with high-accuracy. In this work, the calculations of the WA parameter for the Be atom in BeCl are carried out with various electron correlation approaches such as the open-shell single determinant average-ofconfiguration Dirac-Hartree-Fock (DHF), the relativistic density functional theory (DFT), the second-order Møller-Plesset method (MP2), the relativistic coupled cluster method with single, double, and perturbative triple excitation, namely CCSD and CCSD(T). The influence of electron correlations on the calculated WA parameter is investigated and discussed.
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