Relativistic Exact Two-Component Coupled-Cluster Study of Molecular Sensitivity Factors for Nuclear Schiff Moments

Fuente: arXiv
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Main Authors: Chen, Tianxiang, Zhang, Chaoqun, Cheng, Lan, Ng, Kia Boon, Malbrunot-Ettenauer, Stephan, Flambaum, Victor V., Lasner, Zack, Doyle, John M., Yu, Phelan, Conn, Chandler J., Zhang, Chi, Hutzler, Nicholas R., Jayich, Andrew M., Augenbraun, Benjamin, Demille, David
Format: Preprint
Published: 2024
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author Chen, Tianxiang
Zhang, Chaoqun
Cheng, Lan
Ng, Kia Boon
Malbrunot-Ettenauer, Stephan
Flambaum, Victor V.
Lasner, Zack
Doyle, John M.
Yu, Phelan
Conn, Chandler J.
Zhang, Chi
Hutzler, Nicholas R.
Jayich, Andrew M.
Augenbraun, Benjamin
Demille, David
author_facet Chen, Tianxiang
Zhang, Chaoqun
Cheng, Lan
Ng, Kia Boon
Malbrunot-Ettenauer, Stephan
Flambaum, Victor V.
Lasner, Zack
Doyle, John M.
Yu, Phelan
Conn, Chandler J.
Zhang, Chi
Hutzler, Nicholas R.
Jayich, Andrew M.
Augenbraun, Benjamin
Demille, David
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2407_05160
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Relativistic Exact Two-Component Coupled-Cluster Study of Molecular Sensitivity Factors for Nuclear Schiff Moments
Chen, Tianxiang
Zhang, Chaoqun
Cheng, Lan
Ng, Kia Boon
Malbrunot-Ettenauer, Stephan
Flambaum, Victor V.
Lasner, Zack
Doyle, John M.
Yu, Phelan
Conn, Chandler J.
Zhang, Chi
Hutzler, Nicholas R.
Jayich, Andrew M.
Augenbraun, Benjamin
Demille, David
Atomic Physics
Chemical Physics
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.
title Relativistic Exact Two-Component Coupled-Cluster Study of Molecular Sensitivity Factors for Nuclear Schiff Moments
topic Atomic Physics
Chemical Physics
url https://arxiv.org/abs/2407.05160