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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 113, 2015 - Issue 22
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Research Articles

Transfer matrix approach to the curve crossing problems of two exponential diabatic potentials

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Pages 3406-3416 | Received 10 Oct 2014, Accepted 03 Mar 2015, Published online: 31 Mar 2015
 

Abstract

In the present manuscript, we have presented a method of calculation of non-adiabatic transition probability using transfer matrix technique. As an example for the two-state curve crossing problem, we have considered two diabatic potentials (two exponential potentials in the present case) with opposite sign of slopes which crosses each other and there is a coupling between the two diabatic potentials. The coupling is chosen as a Gaussian coupling which is further expressed as a collection of Dirac Delta potentials and the transition probability from one diabatic potential to another is calculated.

Acknowledgements

The authors thank Indian Institute of Technology Mandi for providing seed grant, personal development fund for acquiring necessary computational facilities to do numerical calculations along with HTRA scholarship.

Disclosure statement

No potential conflict of interest was reported by the authors.

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