17 citations · 27 across the 4 of their papers we have counts for
5 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…
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…
Pauli Decomposition via the Fast Walsh-Hadamard Transform
Timothy N. Georges, Bjorn K. Berntson, Christoph Sünderhauf +1
The decomposition of a square matrix into a sum of Pauli strings is a classical pre-processing step required to realize many quantum algorithms. Such a decomposition requires signi…
Quantum Simulations of Chemistry in First Quantization with any Basis Set
Timothy N. Georges, Marius Bothe, Christoph Sünderhauf +3
Quantum computation of the energy of molecules and materials is one of the most promising applications of fault-tolerant quantum computers. Practical applications require developme…
Photoexcited state dynamics and singlet fission in carotenoids
Dilhan Manawadu, Timothy N. Georges, William Barford
We describe our dynamical simulations of the excited states of the carotenoid, neurosporene, following its photoexcitation into the 'bright' (nominally ) state. We employ…