{
  "abstract": "We present quantum scattering calculations of CO$_2$-He state-to-state integral cross sections for 25 transition sets, covering pure rotational transitions within and rovibrational transitions between: the ground state $00^00$, the bend fundamental $01^10$, the bending overtone $02^20$, and the Fermi doublet states $10^00(1)$ and $10^00(2)$. Exact coupled-channel (CC) and coupled-states approximation (CSA) calculations are performed using a new five-dimensional potential energy surface. The calculations cover collision energies from 20 to 5220 cm$^{-1}$, sufficient to obtain converged rate coefficients over 100-800 K, and include initial rotational states for each transition up to at least $j=35$. We present an energy-grid algorithm for rovibrational quantum scattering calculations that minimizes the number of separate calculations required. The resulting cross sections exhibit a dominant $Δj=0$ propensity and parity-dependent patterns. For the benchmark $00^00,j' \\leftarrow 01^10,j$ transition, thermally averaged rate coefficients reproduce available experimental data. A comparison between the CC and CSA cross sections shows that, for vibrational quenching transitions, the CSA cross sections increasingly deviate from the CC results with increasing initial rotational state $j$. Calculated integral cross sections cover collision energies and rotational states needed to derive rate coefficients for non local thermal equilibrium radiative transfer modeling of mid-infrared CO$_2$ spectra. The computationally simpler CO$_2$-He system allows the methodology and approximations to be tested at high collision energies and rotational states, helping assess their suitability for the more complex and astrochemically important CO$_2$-H$_2$ system.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.22129",
  "author_total": 5,
  "authors": [
    {
      "name": "Jelena Bošković"
    },
    {
      "name": "Taha Selim"
    },
    {
      "name": "Ad van der Avoird"
    },
    {
      "name": "Floris F. S. van der Tak"
    },
    {
      "name": "Gerrit C. Groenenboom"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/d46a0j0e2a3es.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.22129",
  "fulltext_url": null,
  "id": "d46a0j0e2a3es",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.22129",
  "language": null,
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "physics.chem-ph"
    ],
    [
      "openalex",
      "1607|Spectroscopy and Laser Applications"
    ]
  ],
  "openalex": "W7222589964",
  "pdf_url": "https://arxiv.org/pdf/2610.22129",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-15",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/d46a0j0e2a3es.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:29:50Z",
      "native_id": "2610.22129",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.22129"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "arxiv:physics.chem-ph",
      "subfield": "physical"
    }
  ],
  "title": "Rovibrational cross sections for the CO$_2$ $00^00$, $01^10$, $02^20$ and Fermi resonance states $10^00(1)$ and $10^00(2)$ in collisions with He atoms",
  "title_text": "Rovibrational cross sections for the CO_2 00^00, 01^10, 02^20 and Fermi resonance states 10^00(1) and 10^00(2) in collisions with He atoms",
  "type": "preprint",
  "updated_at": "2026-10-30T12:29:50Z",
  "url": "https://research.draconitic.com/paper/d46a0j0e2a3es",
  "venue": "arXiv",
  "versions": []
}