{
  "abstract": "In force fields that use Gaussian atomic densities, finite charge distributions soften short-range electrostatics, yet the van der Waals interaction can remain a separate singular Lennard-Jones term. We show that the same Gaussian density that regularizes electrostatics also generates a finite dispersion damping function through the damped dipole-dipole tensor, while overlap-based forms provide a compatible finite exchange repulsion. The resulting Gaussian van der Waals potential, GVDW, has the form Uvdw = Urep - C6F(κr)/r6, recovering the dipole-dipole 1/r6 dispersion tail at long range. As a minimal proof of concept in a polarizable Gaussian-density water model, with only two O-O repulsive parameters refitted, GVDW gives stable liquid simulations and shifts the close-contact O-O radial distribution function toward experiment relative to the Lennard-Jones potential. The result suggests a route to nonbonded potentials organized around a common finite-density picture.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Biomedical Engineering, University of California, Irvine, California92697, United States.",
    "Department of Molecular Biology and Biochemistry, University of California, Irvine, California92697, United States.",
    "Genome Center, University of California, Davis, California95616, United States.",
    "Department of Biomedical Engineering, University of California, Davis, California95616, United States."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Zhen Huang",
      "orcid": "0009-0003-4478-8477"
    },
    {
      "affs": [
        1
      ],
      "name": "Ray Luo",
      "orcid": "0000-0002-6346-8271"
    },
    {
      "affs": [
        2,
        3
      ],
      "name": "Yong Duan",
      "orcid": "0000-0003-3793-5099"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/fz1vbgxya576n.bib",
  "cited_by": 0,
  "doi": "10.1021/acs.jpclett.6c02430",
  "fulltext_url": "https://europepmc.org/articles/PMC13700088",
  "id": "fz1vbgxya576n",
  "issns": [
    "1948-7185"
  ],
  "landing_url": "https://europepmc.org/article/MED/42910948",
  "language": "eng",
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "heading",
      "Letter"
    ],
    [
      "heading",
      "Physical Insights into Materials and Molecular Properties"
    ],
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7220676091",
  "pdf_url": "https://europepmc.org/articles/PMC13700088?pdf=render",
  "pmcid": "PMC13700088",
  "pmid": "42910948",
  "published": "2026-10-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/fz1vbgxya576n.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:20:14Z",
      "native_id": "MED:42910948",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42910948"
    },
    {
      "first_seen": "2026-10-30T12:20:35Z",
      "native_id": "PMC13700088",
      "source": "pmc",
      "url": "https://doi.org/10.1021/acs.jpclett.6c02430"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "openalex:3107|Advanced Chemical Physics Studies",
      "subfield": "amo"
    }
  ],
  "title": "A Density-Consistent, Finite van der Waals Potential from Gaussian Atomic Densities.",
  "title_text": "A Density-Consistent, Finite van der Waals Potential from Gaussian Atomic Densities.",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:36:33Z",
  "url": "https://research.draconitic.com/paper/fz1vbgxya576n",
  "venue": "The journal of physical chemistry letters",
  "versions": []
}