Chemistry, Light and Dynamics Seminar

Monday’s CLD seminar will be given by Alice Van Haeften of the Worth Group.

 A showcase of the different ways the ML-MCTDH method can be used to predict quantum dynamics. I will show how it can be used to predict the photoelectron spectrum of the doubly degenerate cationic ground state of Allene. How the electron transfer from the excited state of a dye molecule into the conduction band of a semiconductor can be simulated in a quantum manner. Finally, the ML-MCTDH will be used in conjunction with a density matrix to simulate the quantum process of a ground state proton transfer in a system at finite temperatures.