{
  "annotation_id": "743cc12b-8043-422b-aa7a-55c96146ab65",
  "date_created": "2026-03-02T18:00:39.477000Z",
  "date_modified": "2026-03-02T18:00:39.477000Z",
  "file_hash": "1f7fbfe89442fa22d96a885e090d941effda2fe42346bd3364b6bac59d7acc6a",
  "private": false,
  "record": {
    "abstract": "Quantum Monte Carlo (QMC) methods such as Variational Monte Carlo, Diffusion\nMonte Carlo or Path Integral Monte Carlo are the most accurate and general\nmethods for computing total electronic energies. We will review methods we have\ndeveloped to perform QMC for the electrons coupled to a classical Monte Carlo\nsimulation of the ions. In this method, one estimates the Born-Oppenheimer\nenergy E(Z) where Z represents the ionic degrees of freedom. That estimate of\nthe energy is used in a Metropolis simulation of the ionic degrees of freedom.\nImportant aspects of this method are how to deal with the noise, which QMC\nmethod and which trial function to use, how to deal with generalized boundary\nconditions on the wave function so as to reduce the finite size effects. We\ndiscuss some advantages of the CEIMC method concerning how the quantum effects\nof the ionic degrees of freedom can be included and how the boundary conditions\ncan be integrated over. Using these methods, we have performed simulations of\nliquid H2 and metallic H on a parallel computer.",
    "arxiv_id": "physics/0207006",
    "authors": [
      "David Ceperley",
      "Mark Dewing",
      "Carlo Pierleoni"
    ],
    "categories": [
      "physics.comp-ph",
      "physics.chem-ph"
    ],
    "title": "The Coupled Electronic-Ionic Monte Carlo Simulation Method",
    "url": "https://arxiv.org/abs/physics/0207006"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "19303066-a174-4250-8cba-dbff583072b4",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}