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- W2768938861 endingPage "9578" @default.
- W2768938861 startingPage "9567" @default.
- W2768938861 abstract "Photoinduced excited-state electron and energy transfer processes are crucial in biological photoharvesting systems and organic photovoltaic devices. We discuss the construction of a diabatic vibronic Hamiltonian for the proper treatment of these processes involving the projection approach acting on both electronic wave functions and vibrational modes. In the electronic part, the wave function projection approach is used to construct the diabatic Hamiltonian in which both local excited states and charge-transfer states are included on the same footing. For the vibrational degrees of freedom, the vibronic couplings in the diabatic Hamiltonian are obtained in the basis of the pseudonormal modes localized on each monomer site by applying delocalized-to-localized mode projection. This systematic approach allows us to construct the vibronic diabatic Hamiltonian in molecular aggregates." @default.
- W2768938861 created "2017-12-04" @default.
- W2768938861 creator A5000672604 @default.
- W2768938861 creator A5021634017 @default.
- W2768938861 creator A5060285813 @default.
- W2768938861 creator A5065619609 @default.
- W2768938861 date "2017-12-12" @default.
- W2768938861 modified "2023-10-04" @default.
- W2768938861 title "Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes" @default.
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