Calculating singlet excited states: comparison with fast time-resolved infrared spectroscopy of coumarins

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Calculating singlet excited states: comparison with fast time-resolved infrared spectroscopy of coumarins

In contrast to the ground state, the calculation of the infrared (IR) spectroscopy of molecular singlet excited states represents a substantial challenge. Here we use the structural IR fingerprint of the singlet excited states of a range of coumarin dyes to assess the accuracy of density functional...

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Bibliographic Details
Main Authors:	Hanson-Heine, Magnus W.D., Wrigglesworth, Alisdair, Uroos, Maliha, Calladine, James A., Murphy, Thomas S., Hamilton, Michelle, Clark, Ian P., Towrie, Michael, Dowden, James, Besley, Nicholas A., George, Michael W.
Format:	Article
Language:	English
Published:	American Institute of Physics 2015
Subjects:	infrared spectroscopy ground states density functional theory
Online Access:	https://eprints.nottingham.ac.uk/29967/

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