Relativistic coupled-cluster study of BaF in search of CP violation

TitleRelativistic coupled-cluster study of BaF in search of CP violation
Publication TypeJournal Article
Year of Publication2020
AuthorsTalukdar, K, Nayak, MK, Vaval, N, Pal, S
JournalJournal of Physics B-Atomic Molecular and Optical Physics
Volume53
Issue13
Pagination135102
Date PublishedJUL
Type of ArticleArticle
ISSN0953-4075
Keywordselectric dipole moment of the electron, electron-correlation, Relativistic effects
Abstract

BaF is one of the potential candidates for the experimental search of the electric dipole moment of the electron (eEDM). The NL-eEDM collaboration is building a new experimental set up to measure the eEDM using the BaF molecule (The NL-eEDM collaboration, 2018 Eur. Phys. J. D 72: 197). To analyze the results of such an experiment, one would require the accurate value of the molecular P, T-odd interaction parameters that cannot be measured from any experiment. In this work, we report the precise value of the P, T-odd interaction parameters of the BaF molecule obtained from the four-component relativistic coupled-cluster calculations. We also calculate the hyperfine structure (HFS) constants of the same molecule to assess the reliability of the reported molecular parameters. The calculated HFS constants show good agreement with the available experimental values. Further, the systematic effects of electron-correlation along with the roles of inner-core electrons and the virtual energy functions in the calculation of the studied properties of BaF are investigated.

DOI10.1088/1361-6455/ab84c8
Type of Journal (Indian or Foreign)

Foreign

Impact Factor (IF)

1.703

Divison category: 
Physical and Materials Chemistry

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