Consistent Anisotropic Repulsions for Simple Molecules
| dc.creator | Bastea, Sorin | |
| dc.creator | Ree, Francis H. | |
| dc.date | 2000-12-01 | |
| dc.date.accessioned | 2026-07-07T06:25:00Z | |
| dc.date.available | 2026-07-07T06:25:00Z | |
| dc.description | We extract atom-atom potentials from the effective spherical potentials that suc cessfully model Hugoniot experiments on molecular fluids, e.g., $O_2$ and $N_2$. In the case of $O_2$ the resulting potentials compare very well with the atom-atom potentials used in studies of solid-state propertie s, while for $N_2$ they are considerably softer at short distances. Ground state (T=0K) and room temperatu re calculations performed with the new $N-N$ potential resolve the previous discrepancy between experimental and theoretical results. | |
| dc.description | RevTeX, 5 figures | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0012023 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0012023 | |
| dc.identifier | Phys. Rev. B 62, 5478 (2000) | |
| dc.identifier | doi:10.1103/PhysRevB.62.5478 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/96730 | |
| dc.subject | Materials Science | |
| dc.title | Consistent Anisotropic Repulsions for Simple Molecules | |
| dc.type | text |