TY - JOUR
T1 - P, T-odd effects in YbCu, YbAg, and YbAu
AU - Polet, Johan David
AU - Chamorro, Yuly
AU - Pašteka, Lukáš F.
AU - Hoekstra, Steven
AU - Tomza, Michał
AU - Borschevsky, Anastasia
AU - Aucar, I. Agustín
PY - 2024/12/21
Y1 - 2024/12/21
N2 - In this work, the molecular enhancement factors of the P, T -odd interactions involving the electron electric dipole moment (Wd) and the scalar–pseudoscalar nucleon–electron couplings (Ws) are computed for the ground state of the bimetallic molecules YbCu, YbAg, and YbAu. These systems offer a promising avenue for creating cold molecules by associating laser-cooled atoms. The relativistic coupled-cluster approach is used in the calculations, and a thorough uncertainty analysis is performed to give accurate and reliable uncertainties to the obtained values. Furthermore, an in-depth investigation of the different electronic structure effects that determine the magnitude of the calculated enhancement factors is carried out, and two different schemes for computing Wd are compared. The final values for the enhancement factors are (13.32 ± 0.13) × 1024 hecmHz , (12.19 ± 0.12) × 1024 hecmHz , and (2.36 ± 0.48) × 1024 hecmHz for Wd and (−48.63 ± 0.53)h kHz, (−45.68 ± 0.60)h kHz, and (3.81 ± 2.58)h kHz for Ws, for YbCu, YbAg, and YbAu, respectively.
AB - In this work, the molecular enhancement factors of the P, T -odd interactions involving the electron electric dipole moment (Wd) and the scalar–pseudoscalar nucleon–electron couplings (Ws) are computed for the ground state of the bimetallic molecules YbCu, YbAg, and YbAu. These systems offer a promising avenue for creating cold molecules by associating laser-cooled atoms. The relativistic coupled-cluster approach is used in the calculations, and a thorough uncertainty analysis is performed to give accurate and reliable uncertainties to the obtained values. Furthermore, an in-depth investigation of the different electronic structure effects that determine the magnitude of the calculated enhancement factors is carried out, and two different schemes for computing Wd are compared. The final values for the enhancement factors are (13.32 ± 0.13) × 1024 hecmHz , (12.19 ± 0.12) × 1024 hecmHz , and (2.36 ± 0.48) × 1024 hecmHz for Wd and (−48.63 ± 0.53)h kHz, (−45.68 ± 0.60)h kHz, and (3.81 ± 2.58)h kHz for Ws, for YbCu, YbAg, and YbAu, respectively.
UR - http://www.scopus.com/inward/record.url?scp=85212768128&partnerID=8YFLogxK
U2 - 10.1063/5.0235522
DO - 10.1063/5.0235522
M3 - Article
C2 - 39688259
AN - SCOPUS:85212768128
SN - 0021-9606
VL - 161
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 23
M1 - 234302
ER -