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Breaking of angular momentum symmetry for light atoms; magnetic structures within the LDA.

Breaking of angular momentum symmetry for light atoms; magnetic structures within the LDA.

Wednesday, May 8, 2013 at 4:00 pm
Weniger 304
Skye Dorsett
I will discuss our work on simple nonspherical electronic systems, most notably s-p atoms with interesting magnetic structures. We solve the coupled equations resulting from broken angular momentum symmetry using Density Functional Theory. In particular, I will discuss predictions of the local density approximation (LDA) for electronic and magnetic structures of light atoms and how these structures compare to Hund's Rules, which is not possible without recourse to the nonpsherical equations. I will present results for free atoms, as well as for the dielectric response of the charge cloud to an applied electric field and immersion into an electronic environment.
Jansen