Polet, Johan (2022) High Accuracy Calculations of the eEDM Enhancement Factor Wd in YbCu, YbAg & YbAu. Bachelor's Thesis, Physics.
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Abstract
The electron electric dipole moment (eEDM) enhancement factor Wd and the scalar-pseudoscalar (S-PS) interaction enhancement factor WS are required to determine the eEDM and S-PS interaction parameters from an experiment measuring an energy shift. In this thesis, these enhancement factors, along with the equilibrium bond distances, are determined for the YbCu, YbAg and YbAu molecules, to investigate whether these molecules are suitable to be utilized for eEDM searches. The computations are performed using the Fock space coupled cluster method. A triple zeta basis set is used for the computations of the Wd values for YbCu and YbAg, and all the WS values, while a quadruple zeta basis set is used for the computation of Wd for YbAu. Relativity is treated with the four component Dirac Hamiltonian. The core orbitals of the molecules are frozen to reduce computational costs. The uncertainty of Wd is determined by performing many computations to identify the individual sources of error. One computation of WS is performed to gauge its magnitude. The relative uncertainty found for Wd is attributed to WS and a full uncertainty analysis should be done in further research. The found values are: Wd = 12.98 ± 1.27 · 10^24 h Hz/(e cm) for YbCu, Wd = 11.76 ± 0.98 · 10^24 h Hz/(e cm) for YbAg and Wd = 1.31 ± 0.33 · 10^24 h Hz/(e cm) for YbAu. The Wd to WS ratio is found to be significantly lower for YbAu than for the other two molecules.
| Item Type: | Thesis (Bachelor's Thesis) |
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| Supervisor name: | Borschevsky, A. and Hoekstra, S. |
| Degree programme: | Physics |
| Thesis type: | Bachelor's Thesis |
| Language: | English |
| Date Deposited: | 08 Jul 2022 13:44 |
| Last Modified: | 08 Jul 2022 13:44 |
| URI: | https://fse.studenttheses.ub.rug.nl/id/eprint/27710 |
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