PSI STAR DESIGNS

We are an electronic structure theory group focused on the development of time-dependent electronic structure theory, relativistic quantum mechanical techniques, and new methods for studying non-adiabatic dynamics of large-scale systems... For many molecules, such as those containing heavy elements, the non-relativistic Schrodinger equation is no longer valid. To go beyond the Schrodinger equation, we are developing methods based off variational treatments of the relativistic Dirac equation. This allows us to accurately treat relativistic interactions, such as spin-orbit coupling, for molecular systems. In particular, we are . . .

Primary location: Seattle United States