@article{23868e1a50204b2289b3088c05df7052,
title = "Parity-violating contributions to nuclear spin-rotation interactions and to NMR shielding constants in tetrahedral molecules",
abstract = "In natural processes involving weak interactions, a violation of spatial parity conservation should appear. Although the parity-violation effects are expected to be observable in molecular systems, their tiny magnitude has prevented their detection to date. We present a theoretical analysis of four-component relativistic nuclear-spin-dependent parity-violating nuclear spin-rotation and NMR shielding tensors in a set of tetrahedral chiral molecules. This work emphasizes the significant contribution of the ligands and the electronic structure of the chiral center in enhancing these effects, paving the way for the targeted design of promising molecules for measurements.",
author = "Aucar, {I. Agust{\'i}n} and Yuly Chamorro and Anastasia Borschevsky",
note = "Funding Information: This work was performed under Project HPC-EUROPA3 (No. INFRAIA-2016-1-730897), with the support of the EC Research Innovation Action under the H2020 Programme. In particular, I.A.A. gratefully acknowledges support from the University of Groningen, as well as computer resources and technical support provided by SURFsara. He also acknowledges partial support from FONCYT through Grants No. PICT-2016-2936 and No. PICT-2020-SerieA-00052. We would also like to thank the Institute for Modeling and Innovation in Technologies and the University of Groningen's Center for Information Technology for their support and for providing access to the IMIT and Peregrine high-performance computing clusters. This work also made use of the Dutch national e-infrastructure with the support of the SURF Cooperative using Grant No. EINF-3247. This publication is part of the project High sector Fock space coupled cluster method: Benchmark accuracy across the periodic table (through Project No. VI.Vidi.192.088 of the research program Vidi, which is financed by the Dutch Research Council). Publisher Copyright: {\textcopyright} 2022 American Physical Society.",
year = "2022",
month = dec,
day = "1",
doi = "10.1103/PhysRevA.106.062802",
language = "English",
volume = "106",
journal = "Physical Review A",
issn = "2469-9926",
publisher = "AMER PHYSICAL SOC",
number = "6",
}