dorsal/arxiv
View SchemaParametrization of the Hybrid Potential for Pairs of Neutral Atoms
| Authors | Kevin Cahill |
|---|---|
| Categories | |
| ArXiv ID | q-bio/0606026 |
| URL | https://arxiv.org/abs/q-bio/0606026 |
| DOI | 10.1140/epjd/e2007-00215-5 |
Abstract
The hybrid form is a combination of the Rydberg potential and the London inverse-sixth-power energy. It is accurate at all relevant distance scales and simple enough for use in all-atom simulations of biomolecules. One may compute the parameters of the hybrid potential for the ground state of a pair of neutral atoms from their internuclear separation, the depth and curvature of their potential at its minimum, and from their van der Waals coefficient of dispersion.
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"abstract": "The hybrid form is a combination of the Rydberg potential and the London\ninverse-sixth-power energy. It is accurate at all relevant distance scales and\nsimple enough for use in all-atom simulations of biomolecules. One may compute\nthe parameters of the hybrid potential for the ground state of a pair of\nneutral atoms from their internuclear separation, the depth and curvature of\ntheir potential at its minimum, and from their van der Waals coefficient of\ndispersion.",
"arxiv_id": "q-bio/0606026",
"authors": [
"Kevin Cahill"
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"doi": "10.1140/epjd/e2007-00215-5",
"title": "Parametrization of the Hybrid Potential for Pairs of Neutral Atoms",
"url": "https://arxiv.org/abs/q-bio/0606026"
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