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Born-Huggins-Meyer potential - Revision history
2024-03-29T07:24:29Z
Revision history for this page on the wiki
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Carl McBride: Corrected typo
2010-02-18T11:53:33Z
<p>Corrected typo</p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 12:53, 18 February 2010</td>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math></div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>The first term is an <del style="font-weight: bold; text-decoration: none;">exponentioal </del>repulsion, followed by dipole-dipole and dipole-quadrupole dispersion terms. This potential is often augmented with a [[Coulomb's law | Coulombic interaction]].</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>The first term is an <ins style="font-weight: bold; text-decoration: none;">exponential </ins>repulsion, followed by dipole-dipole and dipole-quadrupole dispersion terms. This potential is often augmented with a [[Coulomb's law | Coulombic interaction]].</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>This potential is often used to study [[Realistic models | alkali halides]].</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>This potential is often used to study [[Realistic models | alkali halides]].</div></td></tr>
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Carl McBride
http://www.sklogwiki.org/SklogWiki/index.php?title=Born-Huggins-Meyer_potential&diff=9684&oldid=prev
Carl McBride at 11:53, 18 February 2010
2010-02-18T11:53:03Z
<p></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 12:53, 18 February 2010</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l9">Line 9:</td>
<td colspan="2" class="diff-lineno">Line 9:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* <math> \Phi_{12}(r) </math> is the [[intermolecular pair potential]] between two particles or ''sites''</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* <math> \Phi_{12}(r) </math> is the [[intermolecular pair potential]] between two particles or ''sites''</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math></div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">The first term is an exponentioal repulsion, followed by dipole-dipole and dipole-quadrupole dispersion terms. This potential is often augmented with a [[Coulomb's law | Coulombic interaction]].</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>This potential is often used to study [[Realistic models | alkali halides]].</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>This potential is often used to study [[Realistic models | alkali halides]].</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>==References==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>==References==</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div><references/></div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div><references/></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Category: Models]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Category: Models]]</div></td></tr>
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Carl McBride
http://www.sklogwiki.org/SklogWiki/index.php?title=Born-Huggins-Meyer_potential&diff=9683&oldid=prev
Carl McBride: New page: The '''Born-Huggins-Meyer potential''' (although looking at the authors/publications perhaps it would be more precisely known as the Born-Meyer-Huggins potential) <ref>[http://dx.doi.org/1...
2010-02-18T11:44:38Z
<p>New page: The '''Born-Huggins-Meyer potential''' (although looking at the authors/publications perhaps it would be more precisely known as the Born-Meyer-Huggins potential) <ref>[http://dx.doi.org/1...</p>
<p><b>New page</b></p><div>The '''Born-Huggins-Meyer potential''' (although looking at the authors/publications perhaps it would be more precisely known as the Born-Meyer-Huggins potential) <ref>[http://dx.doi.org/10.1007/BF01340511 Max Born and Joseph E. Mayer "Zur Gittertheorie der Ionenkristalle", Zeitschrift für Physik A Hadrons and Nuclei '''75''' pp. 1-18 (1932)]</ref><br />
<ref>[http://dx.doi.org/10.1063/1.1749344 Maurice L. Huggins and Joseph E. Mayer "Interatomic Distances in Crystals of the Alkali Halides", Journal of Chemical Physics '''1''' pp. 643- (1933)]</ref><br />
<ref>[http://dx.doi.org/10.1063/1.1749283 Joseph E. Mayer "Dispersion and Polarizability and the van der Waals Potential in the Alkali Halides", Journal of Chemical Physics '''1''' pp. 270- (1933)]</ref> is given by <ref>functional form taken from the [[DL_POLY]] manual (Table 4.12)</ref><br />
<br />
:<math>\Phi_{12}(r) = A \exp \left[ B(\sigma - r) \right] - \frac{C}{r^6} - \frac{D}{r^8} </math><br />
<br />
where<br />
* <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math><br />
* <math> \Phi_{12}(r) </math> is the [[intermolecular pair potential]] between two particles or ''sites''<br />
* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math><br />
This potential is often used to study [[Realistic models | alkali halides]].<br />
==References==<br />
<references/><br />
[[Category: Models]]</div>
Carl McBride