Dissociative recombination of NeH+ with low-energy electrons: Multichannel quantum defect theory including non-adiabatic couplings
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arXiv
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| Auteurs principaux: | , , , , |
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| Format: | Preprint |
| Publié: |
2025
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| _version_ | 1866911141540659200 |
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| author | Hassaine, Riyad Mezei, Janos Zsolt Talbi, Dahbia Tennyson, Jonathan Schneider, Ioan F. |
| author_facet | Hassaine, Riyad Mezei, Janos Zsolt Talbi, Dahbia Tennyson, Jonathan Schneider, Ioan F. |
| contents | Theoretical investigation of the dissociative recombination (DR) of NeH+ with low-energy electrons in the regime where the process occurs without direct potential energy curve crossings is presented. The calculations are performed using multichannel quantum defect theory, incorporating non-adiabatic couplings between electronic states. Unlike the previous treatment of the DR of HeH+, where only first-order radial couplings A(R) were considered, our formulation also incorporates the second-order terms B(R), together with a radial density of states \b{eta}ν (R) to describe the transition into the ionization continuum. This development uses a large number of potential energy curves and non-adiabatic couplings of NeH characterized by us previously, enabling a consistent modeling of the DR process. The resulting cross sections show good agreement with the available experimental data and fill a gap in theoretical data below 4.5 eV, where no detailed quantum calculations are currently available. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_05859 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Dissociative recombination of NeH+ with low-energy electrons: Multichannel quantum defect theory including non-adiabatic couplings Hassaine, Riyad Mezei, Janos Zsolt Talbi, Dahbia Tennyson, Jonathan Schneider, Ioan F. Atomic and Molecular Clusters Instrumentation and Methods for Astrophysics Plasma Physics Theoretical investigation of the dissociative recombination (DR) of NeH+ with low-energy electrons in the regime where the process occurs without direct potential energy curve crossings is presented. The calculations are performed using multichannel quantum defect theory, incorporating non-adiabatic couplings between electronic states. Unlike the previous treatment of the DR of HeH+, where only first-order radial couplings A(R) were considered, our formulation also incorporates the second-order terms B(R), together with a radial density of states \b{eta}ν (R) to describe the transition into the ionization continuum. This development uses a large number of potential energy curves and non-adiabatic couplings of NeH characterized by us previously, enabling a consistent modeling of the DR process. The resulting cross sections show good agreement with the available experimental data and fill a gap in theoretical data below 4.5 eV, where no detailed quantum calculations are currently available. |
| title | Dissociative recombination of NeH+ with low-energy electrons: Multichannel quantum defect theory including non-adiabatic couplings |
| topic | Atomic and Molecular Clusters Instrumentation and Methods for Astrophysics Plasma Physics |
| url | https://arxiv.org/abs/2509.05859 |