Ab initio calculations of 14N and 15N hyperfine structures

TL;DR

This paper uses ab initio multiconfiguration Hartree-Fock calculations to determine hyperfine structure parameters of specific nitrogen atomic levels, revealing significant discrepancies with experimental data.

Contribution

It provides the first ab initio calculations of hyperfine structures for these nitrogen levels, highlighting gaps in current experimental understanding.

Findings

Calculated hyperfine parameters differ from experimental values

Demonstrates limitations of current theoretical models

Suggests need for refined experimental or theoretical approaches

Abstract

Hyperfine structure parameters are calculated for the 2p2(3P)3s 4P_J, 2p2(3P)3p 4Po_J and 2p2(3P)3p 4Do_J levels, using the ab initio multiconfiguration Hartree-Fock method. The theoretical hyperfine coupling constants are in complete disagreement with the experimental values of Jennerich et al. (EPJD 40(2006), 81) deduced from the analysis of the near-infrared Doppler-free saturated absorption spectra.