{
  "abstract": "We investigate the nonequilibrium vibrational dynamics of CO adsorbed on Pt(111), a prototypical adsorbate-surface system for ultrafast vibrational spectroscopy, using a first-principles framework that combines many-body perturbation theory with density functional theory. Within this methodology we explicitly account for electron-hole pair excitations and electron-mediated phonon-phonon coupling. For the latter mechanism, we evaluate the vertex-correction screening, what constitutes a methodological novelty. Our calculations qualitatively reproduce the transient evolution of the internal stretch vibrational mode observed in femtosecond pump-probe experiments, allowing us to identify in the experimental measurements a small transient blueshift after excitation with a femtosecond laser pulse. As predicted in a previous work, the reduction in the number of electronic states available for electron-phonon coupling when the electronic temperature raises at a group 10 transition metal surface, effectively screens the electron-phonon interaction giving rise to an anomalous transient blue-shift.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.31727",
  "author_total": 4,
  "authors": [
    {
      "name": "Raúl Bombín"
    },
    {
      "name": "Iñaki Fernández Tena"
    },
    {
      "name": "J. Iñaki Juaristi"
    },
    {
      "name": "Maite Alducin"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/betchkqs1n8ee.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.31727",
  "fulltext_url": null,
  "id": "betchkqs1n8ee",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.31727",
  "language": null,
  "licence": "CC-BY-NC-SA-4.0",
  "licence_label": "CC BY-NC-SA 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by-nc-sa/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "arxiv",
      "physics.chem-ph"
    ],
    [
      "openalex",
      "3107|Spectroscopy and Quantum Chemical Studies"
    ]
  ],
  "openalex": "W7223702024",
  "pdf_url": "https://arxiv.org/pdf/2610.31727",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-22",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/betchkqs1n8ee.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:35:15Z",
      "native_id": "2610.31727",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.31727"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "arxiv:physics.chem-ph",
      "subfield": "physical"
    },
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Nonadiabatic vibrational dynamics of CO on Pt(111) studied with first-principles many-body perturbation theory",
  "title_text": "Nonadiabatic vibrational dynamics of CO on Pt(111) studied with first-principles many-body perturbation theory",
  "type": "preprint",
  "updated_at": "2026-10-30T12:35:15Z",
  "url": "https://research.draconitic.com/paper/betchkqs1n8ee",
  "venue": "arXiv",
  "versions": []
}