Relativistic Exact Two-Component Coupled-Cluster Study of Molecular Sensitivity Factors for Nuclear Schiff Moments
Atomic Physics
2024-11-05 v1 Chemical Physics
Abstract
Relativistic exact two-component coupled-cluster calculations of molecular sensitivity factors for nuclear Schiff moments (NSMs) are reported. We focus on molecules containing heavy nuclei, especially octupole-deformed nuclei. Analytic relativistic coupled-cluster gradient techniques are used and serve as useful tools for identifying candidate molecules that sensitively probe for physics beyond the Standard Model in the hadronic sector. Notably, these tools enable straightforward ``black-box'' calculations. Two competing chemical mechanisms that contribute to the NSM are analyzed, illuminating the physics of ligand effects on NSM sensitivity factors.
Keywords
Cite
@article{arxiv.2407.05160,
title = {Relativistic Exact Two-Component Coupled-Cluster Study of Molecular Sensitivity Factors for Nuclear Schiff Moments},
author = {Tianxiang Chen and Chaoqun Zhang and Lan Cheng and Kia Boon Ng and Stephan Malbrunot-Ettenauer and Victor V. Flambaum and Zack Lasner and John M. Doyle and Phelan Yu and Chandler J. Conn and Chi Zhang and Nicholas R. Hutzler and Andrew M. Jayich and Benjamin Augenbraun and David Demille},
journal= {arXiv preprint arXiv:2407.05160},
year = {2024}
}