dorsal/arxiv
View SchemaEfficient Monte Carlo Calculations of the One-Body Density
| Authors | Roland Assaraf, Michel Caffarel, Anthony Scemama |
|---|---|
| Categories | |
| ArXiv ID | physics/0610132 |
| URL | https://arxiv.org/abs/physics/0610132 |
| DOI | 10.1103/PhysRevE.75.035701? |
Abstract
An alternative Monte Carlo estimator for the one-body density rho(r) is presented. This estimator has a simple form and can be readily used in any type of Monte Carlo simulation. Comparisons with the usual regularization of the delta-function on a grid show that the statistical errors are greatly reduced. Furthermore, our expression allows accurate calculations of the density at any point in space, even in the regions never visited during the Monte Carlo simulation. The method is illustrated with the computation of accurate Variational Monte Carlo electronic densities for the Helium atom (1D curve) and for the water dimer (3D grid containing up to 51x51x51=132651 points).
{
"annotation_id": "44291449-dddd-4abc-9a2b-5616a758bcb6",
"date_created": "2026-03-02T18:01:14.807000Z",
"date_modified": "2026-03-02T18:01:14.807000Z",
"file_hash": "9808af2373a5bb9f0ccb7076bb9a009d39d418152d2ee00771fc9df0bb6a7908",
"private": false,
"record": {
"abstract": "An alternative Monte Carlo estimator for the one-body density rho(r) is\npresented. This estimator has a simple form and can be readily used in any type\nof Monte Carlo simulation. Comparisons with the usual regularization of the\ndelta-function on a grid show that the statistical errors are greatly reduced.\nFurthermore, our expression allows accurate calculations of the density at any\npoint in space, even in the regions never visited during the Monte Carlo\nsimulation. The method is illustrated with the computation of accurate\nVariational Monte Carlo electronic densities for the Helium atom (1D curve) and\nfor the water dimer (3D grid containing up to 51x51x51=132651 points).",
"arxiv_id": "physics/0610132",
"authors": [
"Roland Assaraf",
"Michel Caffarel",
"Anthony Scemama"
],
"categories": [
"physics.comp-ph",
"cond-mat.stat-mech"
],
"doi": "10.1103/PhysRevE.75.035701?",
"title": "Efficient Monte Carlo Calculations of the One-Body Density",
"url": "https://arxiv.org/abs/physics/0610132"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "2fe5b53b-0797-4780-8c50-b4203de30cbf",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}