{
  "annotation_id": "a92385b7-5180-4062-8cbe-12e9dfe3a901",
  "date_created": "2026-03-02T18:01:00.765000Z",
  "date_modified": "2026-03-02T18:01:00.765000Z",
  "file_hash": "93b21c050bf8f3f885a98b8c316cd7b377ceb0fca36386602fb9caae8520cc17",
  "private": false,
  "record": {
    "abstract": "An efficient numerical quadrature is proposed for the approximate calculation\nof the potential energy in the context of pseudo potential electronic structure\ncalculations with Daubechies wavelet and scaling function basis sets. Our\nquadrature is also applicable in the case of adaptive spatial resolution. Our\ntheoretical error estimates are confirmed by numerical test calculations of the\nground state energy and wave function of the harmonic oscillator in one\ndimension with and without adaptive resolution. As a byproduct we derive a\nfilter, which, upon application on the scaling function coefficients of a\nsmooth function, renders the approximate grid values of this function. This\nalso allows for a fast calculation of the charge density from the wave\nfunction.",
    "arxiv_id": "physics/0506139",
    "authors": [
      "A. I. Neelov",
      "S. Goedecker"
    ],
    "categories": [
      "physics.comp-ph"
    ],
    "doi": "10.1016/j.jcp.2006.01.003",
    "title": "An efficient numerical quadrature for the calculation of the potential   energy of wavefunctions expressed in the Daubechies wavelet basis",
    "url": "https://arxiv.org/abs/physics/0506139"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "cc9b1e4b-4302-4fb0-85a0-cd03dc723afc",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}