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physics.chem-ph2026
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…
physics.chem-ph2022★ 7 cited
Dynamical simulations of carotenoid photoexcited states using density matrix renormalization group techniques
Dilhan Manawadu, Darren J. Valentine, William Barford
We present a dynamical simulation scheme to model the highly correlated excited state dynamics of linear polyenes. We apply it to investigate the internal conversion processes of c…