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arXiv · 1405.2400

Estimating Franck-Condon factors using an NMR quantum processor

Sharad Joshi·Abhishek Shukla·Hemant Katiyar·Anirban Hazra·T. S. Mahesh
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Abstract

Interaction of molecules with light may lead to electronic transitions and simultaneous vibrational excitations. Franck-Condon factors (FCFs) play an important role in quantifying the intensities of such vibronic transitions occurring during molecular photo-excitations. In this article, we describe a general method for estimating FCFs using a quantum information processor. The method involves the application of a translation operator followed by the measurement of certain projections. We also illustrate the method by experimentally estimating FCFs with the help of a three-qubit NMR quantum information processor. We describe two methods for the measurement of projections - (i) using diagonal tomography and (ii) using Moussa protocol. The experimental results agree fairly well with the theory.

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Sharad Joshi, Abhishek Shukla, Hemant Katiyar, Anirban Hazra, T. S. Mahesh. 2014-05-10. Estimating Franck-Condon factors using an NMR quantum processor. https://doi.org/10.1103/physreva.90.022303

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