Study of bound and resonant states of NS molecule in the R-matrix approach

TL;DR

This paper investigates the bound and resonant states of the NS molecule using the ab initio R-matrix method, providing detailed data on autoionization widths and potential curves relevant for electron collision processes.

Contribution

It presents a comprehensive R-matrix calculation of bound and resonance states of NS, including autoionization widths and dissociative potential curves, advancing understanding of electron-molecule interactions.

Findings

Identification of resonance states and their widths.

Dissociative potential curves for NS molecule.

Insights into electron-cation collision processes.

Abstract

The bound and resonance states along with corresponding autoionization widths for nitrogen sulphide (NS) molecule are determined using electron NS$^+$ cation scattering calculations. The calculations are performed for $^2{\Sigma}^+$, $^2{\Pi}$ and $^2\Delta$ total symmetries using the ab initio R-matrix method for both bound and continuum states. Calculations are performed on a grid of 106 points for internuclear separations between 1.32 and 3 $\AA$. The resonance states yield dissociative potential curves which, when considered together with their widths, provide input for models of different electron-cation collision processes including dissociative recombination, and rotational and vibrational excitation. Curves and couplings which will lead directly to dissociative recombination are identified.