Chemistry with attosecond pulses: inducing charge migration and charge transfer in small biomolecules – AttoChemistry

We propose a joint experimental-theoretical project to study the ultrafast electron migration induced by attosecond extreme ultraviolet radiation pulses and the following charge transfer including proton transfer in biomolecules, such as Glycine and uracilderivatives. Our general aim is to investigate how the initial ultrafast excitation determines the ensuing nuclear dynamics, and in particular proton transfers. We will change the parameters of the XUV pulses and observe the changes in the following nuclear dynamics, the ultimate goal being to select/design laser pulses to control the proton transfers. To simulate these processes, we will develop a general method where both electrons and nuclei are treated quantum mechanically on the same footing. The method can be seen as a variant of the Multi-Configuration Time-Dependent Hartree (MCTDH) approach, where the nuclei are time-dependent functions keep a Gaussian form and the electronic basis set is time-dependent.