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About the Quantum Chemistry GroupOur 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. This is especially for the so-called multi-configurational wave functions, i.e. wave functions that can describe multiple electron configurations at the same time – important for the description of the chemical processes that break chemical bonds or to study the chemistry of excited molecules.
Furthermore, we are developing methods and computer algorithms to study non-adiabatic processes – chemical processes where the electron wave function is a sum of various multi-configurational states. Secondly, we examine and describe the non-adiabatic processes in molecular systems. In particular we are interested in and are studying chemical processes within chemiluminescence and bioluminescence – processes where a chemical reaction generates a product which emits light, such as of fireflies. Generally, we are also interested in studying and describing photo-chemical and -physical processes. |
Roland Lindh - Principal Investigator
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I have since a young age been fascinated by chemistry. Burning Bengal fires in the backyard of the apartment house where I lived was not very popular. A few years later, in the mid-70s, I came in contact with the first hand calculators and computers. An abandoned HP computer at my school became the subject of mine and a friend's interest and care. These events molded me so when I got the chance to join the two interests into a profession I made sure that I didn't miss the opportunity. Today I am a Professor at the Department of Chemistry, as well as the Principal Investigator of the Quantum Chemistry Group at Uppsala University. |
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Danjo De Chavez - Post Doc. |
Ignacio Fernández Galván - Researcher |
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