{
  "abstract": "We recently presented multichannel Dyson equations for the \\textit{ab initio} simulation of various spectroscopies. In particular, we introduced a multichannel Dyson equation for the description of photoemission spectra. In this work, we apply our approach to the simulation of photoemission spectra of atoms and molecules. We introduce a numerically efficient approach to calculate their spectral functions. We compare the spectra obtained within the multichannel Dyson equation to those obtained with full configuration interaction and the $GW$ method. We are thus able to show that the satellite features due to shake-up processes are significantly better described by the multichannel Dyson equation than by $GW$. Finally, we also discuss the slow convergence of the satellite energies with the size of the basis set and we propose a simple extrapolation method to reach the complete basis-set limit.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2607.20070",
  "author_total": 3,
  "authors": [
    {
      "name": "Stefano Paggi"
    },
    {
      "name": "J. Arjan Berger"
    },
    {
      "name": "Pina Romaniello"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/cx4g5sh7ts57e.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2607.20070",
  "fulltext_url": null,
  "id": "cx4g5sh7ts57e",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2607.20070",
  "language": null,
  "licence": "LicenseRef-arXiv-nonexclusive-1.0",
  "licence_label": "arXiv licence",
  "licence_source": "article",
  "licence_url": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.other"
    ],
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7170199892",
  "pdf_url": "https://arxiv.org/pdf/2607.20070",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-02",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/cx4g5sh7ts57e.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:26:45Z",
      "native_id": "2607.20070",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2607.20070"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.other",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Core and valence photoemission spectra of atoms and molecules from a multichannel Dyson equation",
  "title_text": "Core and valence photoemission spectra of atoms and molecules from a multichannel Dyson equation",
  "type": "preprint",
  "updated_at": "2026-10-30T12:26:45Z",
  "url": "https://research.draconitic.com/paper/cx4g5sh7ts57e",
  "venue": "arXiv",
  "versions": []
}