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

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.