4 papers
Triplet-Pair Character of the Dark State of Polyenes
Alexandru G. Ichert, William Barford
We define and calculate the triplet-pair population of the dark state in polyenes, as predicted by the -electron Pariser-Parr-Pople (PPP) model, for chains of 8 to 14…
A Vibronic Coupling Model to Study the Nonadiabatic Dynamics of Polyenes
Timothy N. Georges, Louis Summerley, Johan E. Runeson +1
We develop a linear vibronic coupling (LVC) model for polyenes described by the extended Hubbard-Peierls Hamiltonian. This model is applied to trans-hexatriene to benchmark quantum…
Temperature Dependence of Charge and Exciton Transport in One-Dimensional Systems Subject to Static and Dynamic Disorder
William Barford
The temperature-dependence of dynamical properties (e.g., the asymptotic diffusion coefficient and the sub-diffusive exponent) are calculated for charges and excitons in one-dimens…
Singlet Fission in Carotenoid Dimers -- The Role of the Exchange and Dipolar Interactions
Alexandru G. Ichert, William Barford
A theory of singlet fission in carotenoid dimers is presented which aims to explain the mechanism behind the creation of two uncorrelated triplets. Following the initial photoexcit…