Simple evaluation of Franck–Condon factors and non‐Condon effects in the Morse potential |
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Authors: | J. C. L pez V.,A. L. Rivera,Yu. F. Smirnov,A. Frank |
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Affiliation: | J. C. López V.,A. L. Rivera,Yu. F. Smirnov,A. Frank |
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Abstract: | The calculation of Franck–Condon factors between different 1‐D Morse potential eigenstates using a formula derived from the Wigner function is discussed. Our numerical calculations using a simple program written in Mathematica are compared with other calculations. We show that our results have a similar accuracy as those calculations performed with more sophisticated methods. We discuss the extension of our method to include non‐Condon effects in the calculation. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem 88: 280–295, 2002 |
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Keywords: | Franck– Condon factors Morse potential eigenstates non‐Condon effects Mathematica |
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