The potential energy surfaces of the ground and the excited molecular electronic states are calculated .The results are employed in further analyses by methods of multi-channel quantum defect theory and molecular dynamics and lead to information on chemical reactions and spectroscopic data. Of particular interest is the development of theoretical methods and computer programmes as required by the specific projects. The results of this research find application in the area of atmospheric chemistry, as well as in the chemistry of the interstellar medium. The impact of nonlinearity on thermodynamics and dynamics of selected low-dimensional systems is studied. Futher activities include ab initio calculations of the electronic structure of a wide variety of crystalline and amorphous solids.
Recent results improve our understanding of fundamental properties of itinerant ferromagnets.
Such materials are of current technological interest with possible applications for optoelectronic devices. The current research activities involve the synthesis of inorganic glassy and crystalline materials and their characterisation by infrared, Raman and impedance spectroscopies. Investigations also extend to polymers and ceramics, and will be soon complemented by thermal analysis techniques. A broad field of applications is sought, including the establishment of structure-property relationships, the design and optimization of technologically relevant materials, and the characterisation of industrial materials and processes. The methods of Laser Induced Fluorescence in the VUV are applied for the study of the excited states of the trivalent rare-earth ions in the wide band gap of fluoride dielectric crystals and of their optical properties.