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|Title:||A simple method to determine bond lengths and excited state surfaces from electronic-vibrational spectra|
|Authors:||Lee, S.-Y. |
|Citation:||Lee, S.-Y.,Lai, C.-H. (1990-03-23). A simple method to determine bond lengths and excited state surfaces from electronic-vibrational spectra. Chemical Physics Letters 167 (3) : 255-262. ScholarBank@NUS Repository.|
|Abstract:||A fast and efficient method using the spectral moments of an electronic-vibrational spectrum is described to determine the harmonic and Morse potential fits to the excited state potential in the Franck-Condon region. Some of the drawbacks of the Franck-Condon least-squares fitting procedure are overcome by the moment method. The method is applied to some diatomics of current interest, spanning a wide range of bond length change in the electronic transition. The accuracy of the results suggests that the spectral moment method can be a replacement for the traditional and still popular Franck-Condon analysis. © 1990.|
|Source Title:||Chemical Physics Letters|
|Appears in Collections:||Staff Publications|
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