Born-Huggins-Meyer potential - Revision history

Carl McBride: Corrected typo

2010-02-18T11:53:33Z

Corrected typo

← Older revision		Revision as of 13:53, 18 February 2010
Line 10:		Line 10:
	* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math>		* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math>

	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]].		The first term is an exponential repulsion, followed by dipole-dipole and dipole-quadrupole dispersion terms. This potential is often augmented with a [[Coulomb's law \| Coulombic interaction]].

	This potential is often used to study [[Realistic models \| alkali halides]].		This potential is often used to study [[Realistic models \| alkali halides]].

Carl McBride at 11:53, 18 February 2010

2010-02-18T11:53:03Z

← Older revision		Revision as of 13:53, 18 February 2010
Line 9:		Line 9:
	* <math> \Phi_{12}(r) </math> is the [[intermolecular pair potential]] between two particles or ''sites''		* <math> \Phi_{12}(r) </math> is the [[intermolecular pair potential]] between two particles or ''sites''
	* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math>		* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math>

			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]].

	This potential is often used to study [[Realistic models \| alkali halides]].		This potential is often used to study [[Realistic models \| alkali halides]].
	==References==		==References==
	<references/>		<references/>
	[[Category: Models]]		[[Category: Models]]

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) [http://dx.doi.org/1...

2010-02-18T11:44:38Z

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...

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/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>
<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>
<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>

:<math>\Phi_{12}(r) = A \exp \left[ B(\sigma - r) \right] - \frac{C}{r^6} - \frac{D}{r^8} </math>

where
* <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math>
* <math> \Phi_{12}(r) </math> is the [[intermolecular pair potential]] between two particles or ''sites''
* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math>
This potential is often used to study [[Realistic models | alkali halides]].
==References==
<references/>
[[Category: Models]]