Dr. Manuel Brand

Project

If molecules are subjected to pressure in the gigapascal regime, the pressure-induced changes in their geometries are often accompanied by shifts in spectroscopic signals. Among these, changes in the wavelengths and intensities of UV/Vis absorption bands are particularly interesting, since they constitute the working principle of many piezochromic materials. In this project, the GOSTSHYP approach is modified to predict the pressure-induced changes in spectroscopic properties of molecules.

We thank the Deutsche Forschungsgemeinschaft for funding this project via the Walter-Benjamin program.