Collaboration with Alex Chin's group published in J. Chem. Phys.!

5.0062950.figures.online

In this study led by Tim and initiated by Duncan's investigation into the spectra of methylene blue during his summer visit, we worked with Angus Dunnett and Alex Chin to use their TEDOPA methods to model the nonadiabatic dynamics of the excited state population transfer that leads a broad shoulder in linear absorption spectrum. This study brought together some very nice work from different areas to capture both how vibronic and solvent coupling drive population transfer.