D
Diana Guenzburger
Researcher at Northwestern University
Publications - 44
Citations - 703
Diana Guenzburger is an academic researcher from Northwestern University. The author has contributed to research in topics: Hyperfine structure & Electronic structure. The author has an hindex of 16, co-authored 44 publications receiving 694 citations.
Papers
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Journal ArticleDOI
Magnetism of Fe impurities in alkaline-earth metals and Al.
Diana Guenzburger,Donald E Ellis +1 more
TL;DR: First-principles electronic-structure calculations were performed for embedded clusters representing an Fe impurity in the metal hosts Be, Mg, Ca, Sr, and Al, and BeFe was found to be nonmagnetic, as well as AlFe, this last if local relaxation is taken into account.
Book ChapterDOI
The Discrete Variational Method in Density Functional Theory and its Applications to Large Molecules and Solid-State Systems
Donald E Ellis,Diana Guenzburger +1 more
TL;DR: The Discrete Variational method for molecules and clusters (DVM) in the framework of density functional theory is described in detail in this paper, where the numerical grids utilized, basis functions and potential are discussed, as well as spin-polarization for magnetic systems, total energy and dynamics.
Journal ArticleDOI
Electronic structure and electric-field gradients of crystalline Sn(II) and Sn(IV) compounds
Joice Terra,Diana Guenzburger +1 more
Journal ArticleDOI
Electronic structure, magnetic properties, Mössbauer isomer shifts, and hyperfine fields of disordered Fe-rich Fe-Al alloys.
Journal ArticleDOI
Electronic structure, spin couplings, and hyperfine properties of nanoscale molecular magnets
TL;DR: In this article, self-consistent spin-polarized electronic structure calculations were performed for the nanoscale magnetic molecules Mn12O12(CH3COO)16(H2O)4 and Fe11O6(OH)6(O2CPh)15.