Effective electric field associated with the electric dipole moment of the electron for TlF+

被引:0
|
作者
Bala, R. [1 ]
Prasannaa, V. S. [1 ]
Abe, M. [2 ]
Das, B. P. [1 ]
机构
[1] TCG CREST, Ctr Quantum Engn Res & Educ, Kolkata 700091, India
[2] Hiroshima Univ, Sch Sci, Dept Chem, Quantum Chem Res Lab, Higashihiroshima, Hiroshima 7398511, Japan
来源
EUROPEAN PHYSICAL JOURNAL PLUS | 2023年 / 138卷 / 05期
关键词
COUPLED-CLUSTER THEORY; BASIS-SETS;
D O I
10.1140/epjp/s13360-023-04115-w
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
In this article, we have employed relativistic many-body theory to theoretically assess the suitability of TlF+ molecular ion in its ground state for electron electric dipole moment searches. To that end, we have computed values of the effective electric field as well as the molecular permanent electric dipole moment using both configuration interaction and coupled cluster methods with high-quality basis sets, followed by an analysis on the role of electron correlation in the considered properties. We find that TlF+ has a large value of effective electric field of about 163 GV/cm, which is about one and a half times larger than the HgF and HgH molecules, which are known to have the largest effective electric fields among non-superheavy systems.
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页数:8
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