{
  "abstract": "Weakly correlated electronic structures are predominant among molecules, and are routinely solved with heuristic classical methods such as the ``gold standard'' CCSD(T) coupled cluster model, incurring a formal time complexity $O(n^7)$ in the number of molecular orbitals and with no guarantee of energy error $\\varepsilon$ at or below chemical accuracy. In this work, a quantum algorithm is presented for ground state energy estimation of weakly correlated molecules using Trotterized time evolution, with an end-to-end quantum operations cost that scales as $\\tilde{O}(n^{4.8}/\\varepsilon^2)$ in the limit of high-order product formulae when run as a low-depth, shot-noise limited algorithm, or $\\tilde{O}(n^{4.8} + n^{3.8}/\\varepsilon)$ when scaling the simulation time $T\\propto 1/\\varepsilon$. The algorithm combines adiabatic state preparation using a smoothed Gevrey schedule with eigenstate filtering via quantum prolate diagonalization (QPD). Both steps of the algorithm rely on a size-independent spectral gap assumption, which is validated by numerical studies on alanine chains with up to 64 monomers. We benchmark the performance of our eigenstate filtering algorithm on a set of 28 molecules to compare our approach against prior phase estimation algorithms, finding that QPD achieves state-of-the-art cost tradeoffs for $\\varepsilon$-accurate results. Physical quantum resource estimates are obtained for running Trotter step circuits with up to 40 spin-orbitals, providing a clear path for scaling up quantum simulation of chemistry on early fault-tolerant hardware.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2611.00751",
  "author_total": 11,
  "authors": [
    {
      "name": "Oskar Leimkuhler"
    },
    {
      "name": "Marvin Kronenberger"
    },
    {
      "name": "Davide Castaldo"
    },
    {
      "name": "Timothy Stroschein"
    },
    {
      "name": "Srushti Patil"
    },
    {
      "name": "Rebecca Tomann"
    },
    {
      "name": "Arta Safari"
    },
    {
      "name": "Marek Miller"
    },
    {
      "name": "Gemma C. Solomon"
    },
    {
      "name": "Matthias Christandl"
    },
    {
      "name": "Markus Reiher"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/39r5s18rbx1k5.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2611.00751",
  "fulltext_url": null,
  "id": "39r5s18rbx1k5",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2611.00751",
  "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",
      "physics.chem-ph"
    ],
    [
      "arxiv",
      "quant-ph"
    ]
  ],
  "openalex": null,
  "pdf_url": "https://arxiv.org/pdf/2611.00751",
  "pmcid": null,
  "pmid": null,
  "published": "2026-11-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/39r5s18rbx1k5.ris",
  "sources": [
    {
      "first_seen": "2026-11-03T12:20:59Z",
      "native_id": "2611.00751",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2611.00751"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "arxiv:physics.chem-ph",
      "subfield": "physical"
    },
    {
      "field": "physics",
      "origin": "arxiv:quant-ph",
      "subfield": "quantum"
    }
  ],
  "title": "Quantum algorithm for weakly correlated molecular electronic ground states with sub-quintic scaling in the system size",
  "title_text": "Quantum algorithm for weakly correlated molecular electronic ground states with sub-quintic scaling in the system size",
  "type": "preprint",
  "updated_at": "2026-11-05T15:20:18Z",
  "url": "https://research.draconitic.com/paper/39r5s18rbx1k5",
  "venue": "arXiv",
  "versions": []
}