58 citations · 550 across the 47 of their papers we have counts for
49 papers
Nonadiabatic Quantum Dynamics of Hexatriene via the Extended Hubbard-Peierls Model and Time-Dependent DMRG
Timothy N. Georges, Darren J. Valentine, William Barford
Propagating the electronic and nuclear degrees of freedom of a molecule simultaneously is a challenging task, because the number of vibronic states grows exponentially with system…
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 C…
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…
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…
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…
Using the Haken-Strobl-Reineker Model to Determine the Temperature Dependence of the Diffusion Coefficient
William Barford
Stochastic quantum Liouville equations (SQLE) are widely used to model energy and charge dynamics in molecular systems. The Haken-Strobl-Reineker (HSR) SQLE is a particular paradig…