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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 87, 1996 - Issue 4: Amyand David Buckinghham-To Celebrate his Sixtyfifth Birthday. Part I
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Original Articles

On the anisotropy of the triple-dipole dispersion energy for interactions involving linear molecules

Sean A.C. McDowell Department of Chemistry, University of Western Ontario, London, Ontario, Canada, N6A 5B7
,
Ashok Kumar Department of Chemistry, University of Western Ontario, London, Ontario, Canada, N6A 5B7; Department of Physics, Meerut University, Meerut, India
&
William J. Meath Department of Chemistry, University of Western Ontario, London, Ontario, Canada, N6A 5B7
Pages 845-858 | Received 01 Jul 1995, Accepted 09 Sep 1995, Published online: 22 Aug 2006
 
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Abstract

A computationally convenient expression for the exact anisotropic tripledipole (DDD) dispersion energy for interactions involving linear (Σ state) molecules is developed. The input data required for its evaluation are the isotropic and anisotropic dipole oscillator strengths, and excitation energies, for the interacting species. The anisotropy of the DDD energy for three-body molecular systems is investigated, relative to that from a frequently used average energy expression for DDD, using interactions involving H2, Ne and N2 as examples.

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