dorsal/arxiv
View SchemaState-to-state rotational transitions in H$_2$+H$_2$ collisions at low temperatures
| Authors | Teck-Ghee Lee, N. Balakrishnan, R. C. Forrey, P. C. Stancil, D. R. Schultz, Gary J. Ferland |
|---|---|
| Categories | |
| ArXiv ID | physics/0607168 |
| URL | https://arxiv.org/abs/physics/0607168 |
| DOI | 10.1063/1.2338319 |
Abstract
We present quantum mechanical close-coupling calculations of collisions between two hydrogen molecules over a wide range of energies, extending from the ultracold limit to the super-thermal region. The two most recently published potential energy surfaces for the H$_2$-H$_2$ complex, the so-called DJ (Diep and Johnson, 2000) and BMKP (Boothroyd et al., 2002) surfaces, are quantitatively evaluated and compared through the investigation of rotational transitions in H$_2$+H$_2$ collisions within rigid rotor approximation. The BMKP surface is expected to be an improvement, approaching chemical accuracy, over all conformations of the potential energy surface compared to previous calculations of H$_2$-H$_2$ interaction. We found significant differences in rotational excitation/de-excitation cross sections computed on the two surfaces in collisions between two para-H$_2$ molecules. The discrepancy persists over a large range of energies from the ultracold regime to thermal energies and occurs for several low-lying initial rotational levels. Good agreement is found with experiment (Mat\'e et al., 2005) for the lowest rotational excitation process, but only with the use of the DJ potential. Rate coefficients computed with the BMKP potential are an order of magnitude smaller.
{
"annotation_id": "0725e84b-1791-4ebd-9079-bd601fd69096",
"date_created": "2026-03-02T18:01:11.217000Z",
"date_modified": "2026-03-02T18:01:11.217000Z",
"file_hash": "dd59acb6cede1afa73c011702d4cde15cdeeddc3d2093fbf7750f1d0fff0da78",
"private": false,
"record": {
"abstract": "We present quantum mechanical close-coupling calculations of collisions\nbetween two hydrogen molecules over a wide range of energies, extending from\nthe ultracold limit to the super-thermal region. The two most recently\npublished potential energy surfaces for the H$_2$-H$_2$ complex, the so-called\nDJ (Diep and Johnson, 2000) and BMKP (Boothroyd et al., 2002) surfaces, are\nquantitatively evaluated and compared through the investigation of rotational\ntransitions in H$_2$+H$_2$ collisions within rigid rotor approximation. The\nBMKP surface is expected to be an improvement, approaching chemical accuracy,\nover all conformations of the potential energy surface compared to previous\ncalculations of H$_2$-H$_2$ interaction. We found significant differences in\nrotational excitation/de-excitation cross sections computed on the two surfaces\nin collisions between two para-H$_2$ molecules. The discrepancy persists over a\nlarge range of energies from the ultracold regime to thermal energies and\noccurs for several low-lying initial rotational levels. Good agreement is found\nwith experiment (Mat\\\u0027e et al., 2005) for the lowest rotational excitation\nprocess, but only with the use of the DJ potential. Rate coefficients computed\nwith the BMKP potential are an order of magnitude smaller.",
"arxiv_id": "physics/0607168",
"authors": [
"Teck-Ghee Lee",
"N. Balakrishnan",
"R. C. Forrey",
"P. C. Stancil",
"D. R. Schultz",
"Gary J. Ferland"
],
"categories": [
"physics.atom-ph",
"astro-ph",
"physics.chem-ph"
],
"doi": "10.1063/1.2338319",
"title": "State-to-state rotational transitions in H$_2$+H$_2$ collisions at low temperatures",
"url": "https://arxiv.org/abs/physics/0607168"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "965b308f-50ac-47ec-a825-403592a6dcf3",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}