After completing her abitur, Peyerimhoff studied physics at the University of Gießen, completing her degree in 1961 and receiving her doctorate in 1963. After researching at the University of Chicago, the University of Washington, and Princeton University, she returned to Germany and gained her habilitation at the University of Gießen in 1967. She became professor for theoretical chemistry at the University of Mainz in 1970, and at the University of Bonn in 1972.
Her contributions have been to the development of ab initio quantum chemical methods, in particular, multireference configuration interaction, and to their application in many fields of physics and chemistry. Particular emphasis has been given to electronically excited states, molecular spectra and photochemistry. Many studies are on atmospheric molecules and ions, their lifetimes in excited states and decomposition due to radiative and non-radiative processes, and on stability and spectra of clusters.
Some of her students became well known for their contribution to quantum chemistry, including Bernd Engels, Stefan Grimme, Bernd A. Hess, Christel Marian, and Bernd M. Nestmann.
In 1994 she was awarded the German Federal Order of Merit, first class. She received the Gottfried Wilhelm Leibniz-Prize in 1988. She is a member of the International Academy of Quantum Molecular Science and received its annual medal in 1977. She is member of many scientific academies and professional societies and on the executive board of many of them.
German Academy of Sciences Leopoldina. North Rhine-Westphalia Academy for Sciences and Arts. Berlin-Brandenburg Academy of Sciences and Humanities.
Göttingen Academy of Sciences.
German Academy of Science and Engineering]
She is member of many scientific academies and professional societies and on the executive board of many of them.
