{
  "abstract": "External magnetic fields, through their coupling to orbital and spin motion, complicate the correlated electronic states and impose coordinate-dependent phases on the wavefunction, thereby making accurate electronic structure calculations substantially more demanding. Recently, neural network-based quantum Monte Carlo (NNQMC) has emerged as a highly accurate approach to study nucleus-free systems in magnetic fields. For molecular systems, however, things get more complicated as the magnetic field would introduce a rapidly varying phase in the region far from the gauge origin. Here we introduce a gauge-including phase factor that acts directly on the full many-electron wavefunction and accounts for the prescribed magnetic phase, leaving a smoother correlated residual for the network to learn. This factor greatly improves molecular translation consistency and size consistency, providing a route for studying systems in magnetic fields with NNQMC. Upon this approach, we reproduce weak-field magnetizabilities and strong-field bond contraction in \\ce{H2}. We further apply the method to selected transitions in the \\ce{CN} red and \\ce{C2} Swan systems at magnetic fields relevant to white dwarfs. The \\ce{CN} transition exhibits a much larger field-induced shift than its \\ce{C2} counterpart, suggesting its potential as a probe of white-dwarf magnetic fields.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.18826",
  "author_total": 4,
  "authors": [
    {
      "name": "Chengye Lü"
    },
    {
      "name": "Weizhong Fu"
    },
    {
      "name": "Xin-gao Gong"
    },
    {
      "name": "Hongjun Xiang"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/9x9rrksy9tfw8.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.18826",
  "fulltext_url": null,
  "id": "9x9rrksy9tfw8",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.18826",
  "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.mtrl-sci"
    ],
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7213514185",
  "pdf_url": "https://arxiv.org/pdf/2609.18826",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-16",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/9x9rrksy9tfw8.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:22:01Z",
      "native_id": "2609.18826",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.18826"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Gauge-including neural-network quantum Monte Carlo for molecules in magnetic fields",
  "title_text": "Gauge-including neural-network quantum Monte Carlo for molecules in magnetic fields",
  "type": "preprint",
  "updated_at": "2026-10-30T12:22:01Z",
  "url": "https://research.draconitic.com/paper/9x9rrksy9tfw8",
  "venue": "arXiv",
  "versions": []
}