Familiarization with elementary theory of molecular photoionization, properties of photoionization amplitudes and frame transformation from the laboratory to the molecular frame. Implementation of computer programs for computation of cluster photoelectron spectrum.
Seznam odborné literatury
F. Blanco, L. Ellis-Gibbings, and G. García, Chemical Physics Letters 645, 71 (2016).
M. E. Rose, Elementary Theory of Angular Momentum.
P.G. Burke, in Atomic Processes and Application, edited by P.G. Burke and B.L. Moiseiwitsch (Elsevier, 1976), pp. 199–248.
Předběžná náplň práce v anglickém jazyce
Molecular clusters are a type of material with different properties from those of an isolated molecule and a bulk solid. Contemporary experimental techniques (supersonic jet expansion) are capable of preparing clusters of water molecules of various sizes which can serve for example as a model for the immediate environment surrounding the subunits of DNA. However, the experiment is not able to control very well the geometries of the clusters that are prepared. The goal of this project would be to investigate the potential of photoelectron spectroscopy (i.e. photoionization) to reconstruct the cluster geometry. The idea is to generate the cluster’s photoelectron spectrum using a coherent combination of photoionization amplitudes for the constituent molecules of water and to study the spectrum as a function of the cluster geometry with the goal, perhaps, to reconstruct the whole or at least some aspects of the cluster geometry.
- zadáno a potvrzeno stud. odd.