The beginning of 2017 has been marked by two prominent events in our group. The long lasting struggle with the free electron functions finally resulted in the nice Master thesis of Tobias Möhle which was defended on 20th of January. Entitled “Finite Element Approach to Photoemission of Complex Molecules” it addresses the problem of obtaining wave functions of the electrons kicked out of a molecule by an absorbed light. These functions can be used further within the so-called Dyson orbital approach to predict intensities of photoelectron spectra. The novel idea in his work is to unite the power of optimally-tuned range-separated hybrid density functionals to obtain Dyson orbitals and the infinite/finite element method to get the free electron function accounting for the mean-field potential of the remainder ion. Despite numerical obstacles, Tobias has managed to formulate practical recipes and suggested ways of further improvement of the computational protocol. I must admit that supervising and working with such enthusiastic and hardworking people like Tobias gives me a permanent feeling of an explorer lifting the veil on the molecular world.
The second pleasant event which has forced Tobias to speed up with his research is the birth of his son. Now in the family of two physicists who are both working on photoelectron spectroscopy from different sides, theory and experiment, appeared a new member which hopefully also will become a brilliant scientist. We all wish them a happy and healthy journey ahead of their family!
And here is some artwork illustrating both events which we have made with my wife Olga. The background is composed of the figures and formulae from Tobias’s thesis and the foreground is self-explanatory.