# Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search.

@article{Skripnikov2016Combined4A, title={Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search.}, author={Leonid V. Skripnikov}, journal={The Journal of chemical physics}, year={2016}, volume={145 21}, pages={ 214301 } }

A precise theoretical study of the electronic structure of heavy atom diatomic molecules is of key importance to interpret the experiments in the search for violation of time-reversal (T) and spatial-parity (P) symmetries of fundamental interactions in terms of the electron electric dipole moment, eEDM, and dimensionless constant, kT,P, characterizing the strength of the T,P-odd pseudoscalar-scalar electron-nucleus neutral current interaction. The ACME collaboration has recently improved limits…

## 69 Citations

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A significant reduction of the theoretical uncertainties for ${\cal{P,T}}$-odd interaction constants but not to stronger constraints on the electron electric dipole moment, $d_e$, or the nucleon-electron scalar-pseudoscalar coupling constant, $C_S$.

### Model-independent determinations of the electron EDM and the role of diamagnetic atoms

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### Communication: Theoretical study of HfF+ cation to search for the T,P-odd interactions.

- Physics, ChemistryThe Journal of chemical physics
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The combined all-electron and two-step approach is applied to calculate the molecular parameters which are required to interpret the ongoing experiment to search for the effects of manifestation of the T,P-odd fundamental interactions in the HfF+ cation and the effective electric field is found to be 22.5 GV/cm.

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- PhysicsThe Journal of chemical physics
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We employ the Z-vector method in the four-component relativistic coupled-cluster framework to calculate the parity (P) and time-reversal (T ) symmetry violating scalar-pseudoscalar nucleus-electron…

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A benchmark theoretical study of the transition energies in the Ba+ cation and BaF molecule and compares the role of QED effects for transition energies with heavier molecules-RaF and E120F, where E120 is the superheavy Z = 120 homolog of Ra.

### Search for CP-violating nuclear magnetic quadrupole moment using the LuOH+ cation.

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### Electron correlation effects of the ThO and ThS molecules in the spinor basis. A relativistic coupled cluster study of ground and excited states properties.

- Chemistry, PhysicsPhysical chemistry chemical physics : PCCP
- 2018

This study provides a reliable set of spectroscopic parameters such as bond lengths, excitation energies, and vibrational frequencies, as well as a detailed analysis of the electron correlation effects in the ThO and ThS molecules.

### Optical Rotation Approach to Search for the Electric Dipole Moment of the Electron

- PhysicsAtoms
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The P , T -odd Faraday effect (i.e., rotation of the polarization plane of light propagating through a medium in presence of the external electric field due to P , T symmetry violating interactions)…

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