SNIC
SUPR
SNIC SUPR
Multconfigurational strudies of X-ray and photo spectroscopy
Dnr:

SNIC 2018/7-2

Type:

SNAC Small

Principal Investigator:

Roland Lindh

Affiliation:

Uppsala universitet

Start Date:

2018-01-03

End Date:

2019-02-01

Primary Classification:

10407: Theoretical Chemistry

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.