Study of bound and resonant states of NS molecule in the R-matrix approach
arxiv(2024)
摘要
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 ^2Σ^+,
^2Π and ^2Δ 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 Å. 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.
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