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 $\mathring{A}$. 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.

arXiv comment7 pages, 11 figures

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