01799nas a2200217   4500008004100000022001400041245007200055210006900127260000800196300001100204490000700215520109000222653004301312653002501355653002501380100002201405700002201427700001801449700001601467856009801483       2020                        eng d  a0953-407500aRelativistic coupled-cluster study of BaF in search of CP violation0 aRelativistic coupledcluster study of BaF in search of CP violati  cJUL  a1351020 v533 a<p>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.</p>
10aelectric dipole moment of the electron10aelectron-correlation10aRelativistic effects1 aTalukdar, Kaushik1 aNayak, Malaya, K.1 aVaval, Nayana1 aPal, Sourav  uhttps://library.ncl.res.in/content/relativistic-coupled-cluster-study-baf-search-cp-violation