Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy
We introduce the basic concepts of two-dimensional electronic spectroscopy (2DES) and a general theoretical framework adopted to calculate, from first principles, the nonlinear response of multi-chromophoric systems in realistic environments. Specifically, we focus on UV-active chromophores representing the building blocks of biological systems, from proteins to nucleic acids,
KeywordsNonlinear electronic spectroscopy Theoretical simulations Wavefunction methods QM/MM computations DNA/RNA nucleobases Aromatic amino acids
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