Output details
13 - Electrical and Electronic Engineering, Metallurgy and Materials
Imperial College London : B - Metallurgy and Materials
A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states.
The scheme presented in this paper enables simulation of coherent dynamics of photoexcited states in conjugated polymers at low computational cost, while retaining a proper description of the excitations. It has allowed a key practical problem (excitation transfer between strands) to be understood in much greater detail, and citing publications show the method has been adopted by at least two other groups. The success of this work has allowed funding to be obtained from The European Office Aerospace Research Development (EOARD $186,000) to support a student to study the response of polymers to ultrafast intense light pulses.
