dorsal/arxiv
View SchemaStructure and spectroscopy of doped helium clusters using quantum Monte Carlo techniques
| Authors | Alexandra Viel, K. Birgitta Whaley |
|---|---|
| Categories | |
| ArXiv ID | physics/0206023 |
| URL | https://arxiv.org/abs/physics/0206023 |
| DOI | 10.1142/S0217979203020405 |
| Journal | A. Viel and K.B. Whaley in "Proceedings of the 11th International Conference on Recent Progress in Many-Body Theories", Eds R.F. Bishop, T. Brandes, K.A. Gernoth, N.R. Walet and Y. Xian. in "Series on Advances in Quantum Many-Body Theory (World Scientific 2002) |
Abstract
We present a comparative study of the rotational characteristics of various molecule-doped 4He clusters using quantum Monte Carlo techniques. The theoretical conclusions obtained from both zero and finite temperature Monte Carlo studies confirm the presence of two different dynamical regimes that correlate with the magnitude of the rotational constant of the molecule, i.e., fast or slow rotors. For a slow rotor, the effective rotational constant for the molecule inside the helium droplet can be determined by a microscopic two-fluid model in which helium densities computed by path integral Monte Carlo are used as input, as well as by direct computation of excited energy levels. For a faster rotor, the conditions for application of the two-fluid model for dynamical analysis are usually not fulfilled and the direct determination of excitation energies is then mandatory. Quantitative studies for three molecules are summarized, showing in each case excellent agreement with experimental results.
{
"annotation_id": "75e82082-e21b-447f-8157-937ea7a75a13",
"date_created": "2026-03-02T18:00:39.866000Z",
"date_modified": "2026-03-02T18:00:39.866000Z",
"file_hash": "4e9e3724cdb433357e164e877c6c005307014195f2aa167ee405648f9ff62c9e",
"private": false,
"record": {
"abstract": "We present a comparative study of the rotational characteristics of various\nmolecule-doped 4He clusters using quantum Monte Carlo techniques. The\ntheoretical conclusions obtained from both zero and finite temperature Monte\nCarlo studies confirm the presence of two different dynamical regimes that\ncorrelate with the magnitude of the rotational constant of the molecule, i.e.,\nfast or slow rotors. For a slow rotor, the effective rotational constant for\nthe molecule inside the helium droplet can be determined by a microscopic\ntwo-fluid model in which helium densities computed by path integral Monte Carlo\nare used as input, as well as by direct computation of excited energy levels.\nFor a faster rotor, the conditions for application of the two-fluid model for\ndynamical analysis are usually not fulfilled and the direct determination of\nexcitation energies is then mandatory. Quantitative studies for three molecules\nare summarized, showing in each case excellent agreement with experimental\nresults.",
"arxiv_id": "physics/0206023",
"authors": [
"Alexandra Viel",
"K. Birgitta Whaley"
],
"categories": [
"physics.atm-clus",
"physics.comp-ph"
],
"doi": "10.1142/S0217979203020405",
"journal_ref": "A. Viel and K.B. Whaley in \"Proceedings of the 11th International\n Conference on Recent Progress in Many-Body Theories\", Eds R.F. Bishop, T.\n Brandes, K.A. Gernoth, N.R. Walet and Y. Xian. in \"Series on Advances in\n Quantum Many-Body Theory (World Scientific 2002)",
"title": "Structure and spectroscopy of doped helium clusters using quantum Monte Carlo techniques",
"url": "https://arxiv.org/abs/physics/0206023"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "626661b2-1587-4390-b6e3-3a3b6dc28bb8",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}