Permanent electric dipole moment of strontium monofluoride as a test of the accuracy of a relativistic coupled-cluster method
Permanent electric dipole moment of strontium monofluoride as a test of the accuracy of a relativistic coupled-cluster method
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一氟化锶的永久电偶极矩作为相对论耦合簇方法精度的测试
DOI：
10.1103/physreva.90.052507
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发表时间：
2014
期刊：
影响因子：
--
通讯作者：
and B. P. Das
中科院分区：
文献类型：
--
作者：
S. Prasannaa;M. Abe;and B. P. Das
用相对论耦合簇法计算了单氟化锶分子电子基态的永久电偶极矩。我们的结果与其他计算结果和实验结果进行了比较。提出了不同物理效应产生的个体贡献。所得结果表明，本文所采用的相对论耦合簇方法能够准确地计算出分子的永久电偶极矩，而分子的相对论效应是不可忽视的。
The permanent electric dipole moment of theelectronic ground state of the strontium monofluoride molecule is calculated using a relativistic coupled-cluster method. Our result is compared with those of other calculations and that of experiment. Individual contributions arising from different physical effects are presented. The result obtained suggests that the relativistic coupled-cluster method used in the present work is capable of yielding accurate results for the permanent electric dipole moments of molecules for which relativistic effects cannot be ignored.