New quantum chemistry methodology for dynamical magnetic properties and its application to the investigation of molecular nanomagnets. KU Leuven
The dynamical properties of magnetic metal complexes and networks with slow magnetic relaxation are of primary interest for fundamental research and for potential applications in the field of quantum computation and nanoelements for information storage. The project proposes to develop a new fully ab initio methodology for the investigation of static and dynamical magnetic properties of polynuclear complexes and magnetic networks with strong ...