dorsal/arxiv
View SchemaAccurate Adiabatic Connection Curve Beyond the Physical Interaction Strength
| Authors | R. J. Magyar, W. Terilla, K. Burke |
|---|---|
| Categories | |
| ArXiv ID | physics/0301016 |
| URL | https://arxiv.org/abs/physics/0301016 |
| DOI | 10.1063/1.1579465 |
| Journal | The Journal of Chemical Physics -- July 8, 2003 -- Volume 119, Issue 2, pp. 696-700 |
Abstract
The adiabatic connection curve of density functional theory (DFT) is accurately calculated beyond the physical interaction strength for Hooke's atom, two interacting electrons in a harmonic well potential. Extrapolation of the accurate curve to the infinite coupling limit agrees well with the strictly correlated electron (SCE) hypothesis but the approach to this limit is more complex. The interaction strength interpolation is shown to be a good, but not perfect, fit to the adiabatic curve. Arguments about the locality of functionals and convexity of the adiabatic connection curve are examined in this regime.
{
"annotation_id": "6415633b-1133-4a76-9a2b-4d33748307c2",
"date_created": "2026-03-02T18:00:43.082000Z",
"date_modified": "2026-03-02T18:00:43.082000Z",
"file_hash": "3fdf2fba58fe00c7f87195b3ee3d51909a3521997ca268b84ddd75b77bab27da",
"private": false,
"record": {
"abstract": "The adiabatic connection curve of density functional theory (DFT) is\naccurately calculated beyond the physical interaction strength for Hooke\u0027s\natom, two interacting electrons in a harmonic well potential. Extrapolation of\nthe accurate curve to the infinite coupling limit agrees well with the strictly\ncorrelated electron (SCE) hypothesis but the approach to this limit is more\ncomplex. The interaction strength interpolation is shown to be a good, but not\nperfect, fit to the adiabatic curve. Arguments about the locality of\nfunctionals and convexity of the adiabatic connection curve are examined in\nthis regime.",
"arxiv_id": "physics/0301016",
"authors": [
"R. J. Magyar",
"W. Terilla",
"K. Burke"
],
"categories": [
"physics.chem-ph",
"physics.atom-ph",
"physics.comp-ph"
],
"doi": "10.1063/1.1579465",
"journal_ref": "The Journal of Chemical Physics -- July 8, 2003 -- Volume 119,\n Issue 2, pp. 696-700",
"title": "Accurate Adiabatic Connection Curve Beyond the Physical Interaction Strength",
"url": "https://arxiv.org/abs/physics/0301016"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "6faabd8a-903c-448d-9cc8-7710c2158404",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}