Multconfigurational strudies of X-ray and photo spectroscopy

Dnr:

SNIC 2016/1-508

Type:

SNAC Medium

Principal Investigator:

Roland Lindh

Affiliation:

Uppsala universitet

Start Date:

2017-01-01

End Date:

2018-01-01

Primary Classification:

10407: Teoretisk kemi

Webpage:

http://www.kemi.uu.se/forskning/teoretisk-kemi/

Allocation

Abstract

The project is studying adiabatic and non-diabatic processes in X-ray and photo spectroscopy. The former is done within the CoTXS project, while the latter is within my VR research project. The goal if the project is to use and develop tools for simulations of these processes within multiconfigrational electron structure theory. The simulations will include both time-independent and time-dependent properties. The simulations include both Surface Hopping and Wave propagation methods.