We present different examples where a quantum dynamical approach to photoinduced processes can reveal features and give answers not available only on the ground of static computations of the potential energy surfaces (PES). We face with different processes of great biological relevance and namely the retinal photoisomerization and the internal conversion in monomers and dimers of DNA nucleobases. Depending on the case, we compute dynamics on a single or on coupled excited electronic states, with PES obtained by first-principle calculations or provided by model Hamiltonians
Quantum Dynamics of ultrafast photoinduced processes in biological molecules
Santoro F;Improta R;Lami A;
2007
Abstract
We present different examples where a quantum dynamical approach to photoinduced processes can reveal features and give answers not available only on the ground of static computations of the potential energy surfaces (PES). We face with different processes of great biological relevance and namely the retinal photoisomerization and the internal conversion in monomers and dimers of DNA nucleobases. Depending on the case, we compute dynamics on a single or on coupled excited electronic states, with PES obtained by first-principle calculations or provided by model HamiltoniansFile in questo prodotto:
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