Relativistic coupled-cluster study of diatomic metal-alkali-metal molecules for electron electric dipole moment searches

• Published in: Journal of physics. B, Atomic, molecular, and optical physics Vol. 53; no. 1; pp. 15102 - 15112
• Main Authors: Sunaga, A, Abe, M, Prasannaa, V S, Aoki, T, Hada, M
• Format: Journal Article
• Language: English
• Published: IOP Publishing 2020
• Subjects: electric dipole moment of the electron (eEDM); relativistic coupled cluster (RCC); ultracold molecule
• ISSN: 0953-4075; 1361-6455
• DOI: 10.1088/1361-6455/ab5255

Recent improvements in experimental techniques for preparing ultracold molecules that contain alkali atoms (e.g. Li, Na, and K) have been reported. Based on these advances in ultracold molecules, new searches for the electric dipole moment of the electron and the scalar-pseudoscalar interaction can be proposed on such systems. We calculate the effective electric fields (Eeff) and the scalar-pseudoscalar coefficients (Ws) of SrA and HgA (A = Li, Na, and K) molecules at the Dirac-Fock (DF) and the relativistic coupled cluster (RCC) levels. We elaborate on the following points: (i) basis set dependence of the molecular properties in HgA, (ii) analysis of Eeff and Ws in SrA and HgA, and comparison with their fluoride and hydride counterparts, (iii) ratio of Ws to Eeff (Ws/Eeff) at the DF and the correlation RCC levels of theory.