Vaara, J., & Romalis, M. V. (2019). Calculation of scalar nuclear spin-spin coupling in a noble-gas mixture. Physical Review A, 99(6). https://doi.org/10.1103/physreva.99.060501

### Calculation of scalar nuclear spin-spin coupling in a noble-gas mixture

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Author: Vaara, Juha1; Romalis, Michael V.2
Organizations: 1NMR Research Unit, University of Oulu, P.O. Box 3000, FI-90014 Oulu, Finland
2Department of Physics, Princeton University, Princeton, New Jersey 08544, USA
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 0.7 MB)
Language: English
Published: American Physical Society, 2019
Publish Date: 2019-06-17
Description:

# Abstract

Indirect spin-spin interactions between nuclei bound in a molecule are well known in nuclear magnetic resonance, but such interactions between unbound atoms are less well studied and are often assumed to be zero. We present a precision calculation of this interaction between ¹²⁹Xe and ³He nuclei in a gas. Relativistic, state-of-the-art electronic structure theory is used to compute the scalar coupling constant $$J(R)$$ and the interatomic potential energy function $$V(R)$$ as functions of the Xe-He internuclear distance $$R$$. Using virial expansion we find the nuclear spin enhancement factor κ = −0.0105 ± 0.0015, in excellent agreement with recent experiments. This interaction is particularly important for precision measurements using nuclear spin comagnetometers.

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Series: Physical review. A
ISSN: 2469-9926
ISSN-E: 2469-9934
ISSN-L: 2469-9926
Volume: 99
Issue: 6
Article number: 060501
DOI: 10.1103/PhysRevA.99.060501