P , T -odd effects in YbCu, YbAg, and YbAu.

Autor:	Polet JD; Van Swinderen Institute for Particle Physics and Gravity, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands., Chamorro Y; Van Swinderen Institute for Particle Physics and Gravity, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands.; Nikhef, National Institute for Subatomic Physics, Amsterdam, The Netherlands., Pašteka LF; Van Swinderen Institute for Particle Physics and Gravity, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands.; Nikhef, National Institute for Subatomic Physics, Amsterdam, The Netherlands.; Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University, Mlynská dolina, 84215 Bratislava, Slovakia., Hoekstra S; Van Swinderen Institute for Particle Physics and Gravity, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands.; Nikhef, National Institute for Subatomic Physics, Amsterdam, The Netherlands., Tomza M; Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw, Poland., Borschevsky A; Van Swinderen Institute for Particle Physics and Gravity, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands.; Nikhef, National Institute for Subatomic Physics, Amsterdam, The Netherlands., Aucar IA; Van Swinderen Institute for Particle Physics and Gravity, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands.; Nikhef, National Institute for Subatomic Physics, Amsterdam, The Netherlands.; Instituto de Modelado e Innovación Tecnológica (UNNE-CONICET), Facultad de Ciencias Exactas y Naturales y Agrimensura, Universidad Nacional del Nordeste, Av. Libertad, 5460 Corrientes, Argentina.
Jazyk:	angličtina
Zdroj:	The Journal of chemical physics [J Chem Phys] 2024 Dec 21; Vol. 161 (23).
DOI:	10.1063/5.0235522
Abstrakt:	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)×1024hHzecm, (12.19±0.12)×1024hHzecm, and (2.36±0.48)×1024hHzecm 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. (© 2024 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC) license (https://creativecommons.org/licenses/by-nc/4.0/).)
Databáze:	MEDLINE
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