G. Rauhut

Theoretical Spectroscopy Group

Our research focusses mainly on the development of accurate quantum chemical methods as needed for a reliable prediction of spectroscopic properties of small molecules and molecular clusters (<25 atoms). It is the efficient and automated simulation of infrared, Raman, resonance Raman, photoelectron or photoionization spectra within a fully anharmonic framework and the account of high-order correlation effects, which dominates our work. All methods developed in our group are available in the Molpro program package.

Guntram Rauhut

This image shows Guntram Rauhut
Prof. Dr.

Guntram Rauhut

Group Leader

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