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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 69, 1990 - Issue 4
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Research notes

Calculation of non-adiabatic matrix elements

Jeremy G. Frey Department of Chemistry, Southampton University, Southampton, SO9 5NH, England
&
Simon J. Holdship Department of Chemistry, Southampton University, Southampton, SO9 5NH, England
Pages 783-785 | Received 15 Aug 1989, Accepted 18 Oct 1989, Published online: 23 Aug 2006
 
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Abstract

The direct solution of two inhomogeneous ordinary differential equations provides a simple method of calculating accurate non-adiabatic matrix elements when the basic adiabatic wavefunctions are obtained on a grid by finite difference techniques.

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