Computational Consequences of Neglected First-Order van der Waals Forces
| dc.creator | Cahill, Kevin | |
| dc.creator | Parsegian, V. Adrian | |
| dc.date | 2003-12-04 | |
| dc.date | 2007-07-01 | |
| dc.date.accessioned | 2026-07-07T08:13:01Z | |
| dc.date.available | 2026-07-07T08:13:01Z | |
| dc.description | We have computed the widely neglected first-order interaction between neutral atoms. At interatomic separations typical of condensed media, it is nearly equal to the 1/r^6 second-order London energy inferred from interactions in gasses. Our results, without the exchange forces that lead to covalent bonding, suggest that the quality of non-bonding attraction between neutral atoms of molecules in condensed media differs from the 1/r^6 form usually ascribed to it. If we add first-order and all second-order terms, we obtain energies nearly five times the 1/r^6 London energies which dominate only at the atomic separations found in gasses. For computation, we propose a practical, accurate form of energy to replace the qualitatively inaccurate Lennard-Jones and harmonic forms casually assumed to hold at the interatomic separations found in condensed media. | |
| dc.description | 5 pages, 4 figures, minor changes of wording, fixed typo in Eq.(7) | |
| dc.identifier | https://arxiv.org/abs/q-bio/0312005 | |
| dc.identifier | http://arxiv.org/abs/q-bio/0312005 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/132656 | |
| dc.subject | Biomolecules | |
| dc.subject | Quantitative Methods | |
| dc.title | Computational Consequences of Neglected First-Order van der Waals Forces | |
| dc.type | text |