Title:	Electronic structure, method development and applications
DNr:	NAISS 2023/22-1184
Project Type:	NAISS Small Compute
Principal Investigator:	Ignacio Fernández Galván <Ignacio.Fernandez@kemi.uu.se>
Affiliation:	Uppsala universitet
Duration:	2023-12-01 – 2024-12-01
Classification:	10407
Keywords:

Abstract

The method development is mainly focused on high-level electron correlation methods (such as CASPT2) as well as structure optimizations (minima, saddle points, conical intersections, reaction paths). Applications are photochemical processes, electronic excited states, bio- and chemiluminescence, noble gas compounds.