Lindh Group

Abstract drawing of a molecule.

Quantum chemistry

Our research is carried out in two directions. Firstly, we work with method development and computer implementations of models to describe the electronic wave function of molecular systems. We are especially interested in so-called multi-configurational wave functions, i.e. wave functions that can describe multiple electron configurations at the same time. Multi-configurational wave functions are important for describing the chemical processes that break chemical bonds and for studying the chemistry of excited molecules.

Secondly, we develop methods and computer algorithms to study non-adiabatic processes – chemical processes where the electron wave function is a sum of various multi-configurational states. Furhtermore, we examine and describe the non-adiabatic processes in molecular systems. In particular, we are interested in chemical processes within chemoluminescence and bioluminescence – processes where a chemical reaction generates a product which emits light, such as in fireflies.

Generally, we are also interested in studying and describing photochemical and photophysical processes.

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