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

Juha Vaara and Michael V. Romalis
Phys. Rev. A 99, 060501(R) – Published 12 June 2019
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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 Xe129 and He3 nuclei in a gas. Relativistic, state-of-the-art electronic structure theory is used to compute the scalar coupling constant JR and the interatomic potential energy function VR 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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  • Received 22 November 2018

DOI:https://doi.org/10.1103/PhysRevA.99.060501

©2019 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

Juha Vaara1,* and Michael V. Romalis2

  • 1NMR Research Unit, University of Oulu, P.O. Box 3000, FI-90014 Oulu, Finland
  • 2Department of Physics, Princeton University, Princeton, New Jersey 08544, USA

  • *juha.vaara@iki.fi

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Issue

Vol. 99, Iss. 6 — June 2019

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