Josh Goings and Feizhi Ding published a paper in the Journal of Chemical Physics titled “Ab Initio Non-Relativistic Spin Dynamics“. The Generalized Hartree-Fock density was coupled to a magnetic field and propagated in real time. This was a non-relativist two-component spinor method, called TDN2C. This method allows for the resolution of non-collinear electron spins precessing about the magnetic field, the well-known Larmor precession. When additional coupling mechanisms are introduced this scheme will be able to resolve complex time-dependent magnetic properties.
Josh also published a paper with our collaborators in the Gamelin group in the Journal of Physical Chemistry C titled “Theoretical Characterization of Conduction-Band Electrons in Photodoped and Aluminum-Doped Zinc Oxide (AZO) Quantum Dots“. This paper investigated the electronic structure of Al-doped ZnO nanocrystals. Many of the spectroscopic features in these structures can be interpreted in the so-called “super” orbitals. These orbitals are similar to those seen in a hydrogenic systems or a quantum mechanical particle in a spherical potential.