Developments in electronic structure theory
Physical properties of atoms, molecules and solids are determined by the collective behavior of electrons interacting with each other and with the nuclei. Unfortunately, an analytical solution of the electronic problem in a realistic system is often out of reach and one must resort to a numerical approach. In our group we contribute to developing various computational methods to solve the electronic problem in atoms, molecules and solids.
Atomistic spin-dynamics method UppASD
The UppASD software solves numerically the equation of motion of atomistic spins. This allows for a description of the magnetization dynamics on an atomic level.