An Update to Isomers of Rydberg Excitations in Argon Clusters
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arXiv
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| Autores principales: | , |
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| Formato: | Preprint |
| Publicado: |
2024
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| _version_ | 1866914532746592256 |
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| author | Dhiman, Mukul Gervais, Benoit |
| author_facet | Dhiman, Mukul Gervais, Benoit |
| contents | The effect of Diabatisation is reported in the excited argon isomers using the Diatomic-In-Molecules (DIM) method. In previous work using DIM, the lowest energy isomers of Ar$_N^*$ were shown as Ar$_3^*-$Ar$_{N-3}$, however, using the Hole-Particle-Psedopotential (HPP) method, it was shown that the excitation is localised over dimer not trimer; Ar$_2^*-$Ar$_{N-2}$. In this work we improve the DIM calculations by including previously ignored strongly avoided crossing between 3p4s and 3p4p $^{1,3}Σ$ states. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2409_06484 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | An Update to Isomers of Rydberg Excitations in Argon Clusters Dhiman, Mukul Gervais, Benoit Atomic and Molecular Clusters Materials Science Chemical Physics Computational Physics The effect of Diabatisation is reported in the excited argon isomers using the Diatomic-In-Molecules (DIM) method. In previous work using DIM, the lowest energy isomers of Ar$_N^*$ were shown as Ar$_3^*-$Ar$_{N-3}$, however, using the Hole-Particle-Psedopotential (HPP) method, it was shown that the excitation is localised over dimer not trimer; Ar$_2^*-$Ar$_{N-2}$. In this work we improve the DIM calculations by including previously ignored strongly avoided crossing between 3p4s and 3p4p $^{1,3}Σ$ states. |
| title | An Update to Isomers of Rydberg Excitations in Argon Clusters |
| topic | Atomic and Molecular Clusters Materials Science Chemical Physics Computational Physics |
| url | https://arxiv.org/abs/2409.06484 |