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

Juha Vaara, Michael V. Romalis

Research output: Contribution to journalArticle

3 Scopus citations

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.

Original languageEnglish (US)
Article number060501
JournalPhysical Review A
Volume99
Issue number6
DOIs
StatePublished - Jun 12 2019

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics

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