Abstract
It is shown that quantum chemical calculations are able to calculate lifetimes of small molecules in electronically excited states with an accuracy which is comparable to that of experimental determination. The advantage of the calculations is, that they can treat processes from the nanosec scale up to lifetimes of minutes in principle by the same procedure, and that this is possible for radiative and radiation less transitions. Calculations are furthermore able to give insight into the mechanism of the various processes.
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References
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Peyerimhoff, S.D. (1992). Calculation of the Lifetime of Molecules in Electronically Excited States. In: Kochanski, E. (eds) Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory. NATO ASI Series, vol 376. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-2698-4_3
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DOI: https://doi.org/10.1007/978-94-011-2698-4_3
Publisher Name: Springer, Dordrecht
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