dorsal/arxiv
View SchemaLocalized helium excitations in 4He_N-benzene clusters
| Authors | Patrick Huang, K. Birgitta Whaley |
|---|---|
| Categories | |
| ArXiv ID | physics/0301064 |
| URL | https://arxiv.org/abs/physics/0301064 |
| DOI | 10.1103/PhysRevB.67.155419 |
Abstract
We compute ground and excited state properties of small helium clusters 4He_N containing a single benzene impurity molecule. Ground-state structures and energies are obtained for N=1,2,3,14 from importance-sampled, rigid-body diffusion Monte Carlo (DMC). Excited state energies due to helium vibrational motion near the molecule surface are evaluated using the projection operator, imaginary time spectral evolution (POITSE) method. We find excitation energies of up to ~23 K above the ground state. These states all possess vibrational character of helium atoms in a highly anisotropic potential due to the aromatic molecule, and can be categorized in terms of localized and collective vibrational modes. These results appear to provide precursors for a transition from localized to collective helium excitations at molecular nanosubstrates of increasing size. We discuss the implications of these results for analysis of anomalous spectral features in recent spectroscopic studies of large aromatic molecules in helium clusters.
{
"annotation_id": "0bc67355-69f1-48b1-8847-8f9406fca610",
"date_created": "2026-03-02T18:00:43.085000Z",
"date_modified": "2026-03-02T18:00:43.085000Z",
"file_hash": "88a33bc869fdcbc70a7d9ed761778ffbd5f85a7c12d902b48fcbeee19b8672d4",
"private": false,
"record": {
"abstract": "We compute ground and excited state properties of small helium clusters 4He_N\ncontaining a single benzene impurity molecule. Ground-state structures and\nenergies are obtained for N=1,2,3,14 from importance-sampled, rigid-body\ndiffusion Monte Carlo (DMC). Excited state energies due to helium vibrational\nmotion near the molecule surface are evaluated using the projection operator,\nimaginary time spectral evolution (POITSE) method. We find excitation energies\nof up to ~23 K above the ground state. These states all possess vibrational\ncharacter of helium atoms in a highly anisotropic potential due to the aromatic\nmolecule, and can be categorized in terms of localized and collective\nvibrational modes. These results appear to provide precursors for a transition\nfrom localized to collective helium excitations at molecular nanosubstrates of\nincreasing size. We discuss the implications of these results for analysis of\nanomalous spectral features in recent spectroscopic studies of large aromatic\nmolecules in helium clusters.",
"arxiv_id": "physics/0301064",
"authors": [
"Patrick Huang",
"K. Birgitta Whaley"
],
"categories": [
"physics.chem-ph",
"physics.atm-clus"
],
"doi": "10.1103/PhysRevB.67.155419",
"title": "Localized helium excitations in 4He_N-benzene clusters",
"url": "https://arxiv.org/abs/physics/0301064"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "a9059311-278f-4216-874b-664ab598f82c",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}