Intermolecular pair potential: Difference between revisions
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Carl McBride (talk | contribs) (New page: In general, the intermolecular pair potential for axially symmetric molecules, <math>\Phi_{12} </math>, is a function of five coordinates: :<math>\left. \Phi_{12} \right. = \Phi_{12}(...) |
Carl McBride (talk | contribs) m (Axially symmetric molecules moved to Intermolecular pair potential) |
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Revision as of 12:29, 7 June 2007
In general, the intermolecular pair potential for axially symmetric molecules, , is a function of five coordinates:
The angles and can be considered to be polar angles, with the intermolecular vector, , as the common polar axis. Since the molecules are axially symmetric, the angles do not influence the value of . A very powerful expansion of this pair potential is due to Pople (Ref. 1 Eq. 2.1):
- ,
where are the spherical harmonics.