A Non-Markovian Model for the 2D Spectroscopy of Vibronic Systems.

Dale Green (Lead Author), Garth Jones

Research output: Contribution to conferencePoster

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Abstract

Ultrafast 2D spectroscopy reveals a wealth of information regarding the structure and dynamics of chemical systems. The modulation of peaks identifies the formation of coherent superpositions within the system, whilst spectral lineshape is a result of dephasing and relaxation processes caused by the solvent environment. Studies of such coherences formed within systems with coupled vibrational and electronic, or vibronic, states have provided insight into the efficient energy transfer observed within molecular aggregates and biological complexes. Here we present a model for the 2D spectroscopy of vibronic systems which employs the latest formulation of the non-Markovian Hierarchical Equations of Motion. The long-term memory of the environment is incorporated through the simultaneous propagation of a set of auxiliary density matrices, introducing inhomogeneous spectral broadening implicitly within the dynamical evolution.
Original languageEnglish
Publication statusUnpublished - 10 Sep 2018
EventNational Training School in Theoretical Chemistry - University of Oxford, Oxford, United Kingdom
Duration: 2 Sep 201814 Sep 2018
http://www.tmcs.ac.uk/uktc-summer-school.aspx

External training

External trainingNational Training School in Theoretical Chemistry
Abbreviated titleUKTC2018
CountryUnited Kingdom
CityOxford
Period2/09/1814/09/18
Internet address

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