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

Fuente: arXiv
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Autores principales: Iacob, F., Meltzer, T., Mezei, J. Zs., Schneider, I. F., Tennyson, J.
Formato: Preprint
Publicado: 2024
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author Iacob, F.
Meltzer, T.
Mezei, J. Zs.
Schneider, I. F.
Tennyson, J.
author_facet Iacob, F.
Meltzer, T.
Mezei, J. Zs.
Schneider, I. F.
Tennyson, J.
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2404_19298
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Study of bound and resonant states of NS molecule in the R-matrix approach
Iacob, F.
Meltzer, T.
Mezei, J. Zs.
Schneider, I. F.
Tennyson, J.
Instrumentation and Methods for Astrophysics
Atomic Physics
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.
title Study of bound and resonant states of NS molecule in the R-matrix approach
topic Instrumentation and Methods for Astrophysics
Atomic Physics
url https://arxiv.org/abs/2404.19298