Theoretical modelling of large photochemical systems
Title: Theoretical modelling of large photochemical systems
SNIC Project: SNIC 2014/1-152
Project Type: SNAC Medium
Principal Investigator: Per-Åke Malmqvist <per-ake.malmqvist@teokem.lu.se>
Affiliation: Lunds universitet
Duration: 2014-05-03 – 2015-02-01
Classification: 10407
Homepage: http://www.molcas.org/
Keywords:

Abstract

Photochemical systems, such as e.g. a light harvesting complex, is not just big, but in order to properly compute photochemical reaction, we must be able to describe the excited states with high accuracy. This can be done with the program package MOLCAS, and the current project aims primarily at developing and testing new code, able to cope with the extreme demands in this kind of calculations.