Now showing items 1-3 of 3

    • Ab initio calculations of phonon properties and spectra in condensed matter 

      Story, Shauna
      Phonons, the quantization of atomic vibrations, are important in studying many solid state properties, ranging from Raman, infrared, and neutron scattering to thermal expansion, specific heat, and heat conductivity to ...
    • Bethe-Salpeter Equation Approach for Calculations of X-ray Spectra 

      Vinson, John (2013-02-25)
      X-ray spectroscopy is a powerful and widely used tool for the investigation of the electronic structure of a large variety of solid state materials, including crystals materials, liquids, amorphous solids, molecules, and ...
    • Hubbard Model Approach to X-ray Spectroscopy 

      Ahmed, Towfiq (2013-02-25)
      We have implemented a Hubbard model based first-principles approach for real-space calculations of x-ray spectroscopy, which allows one to study excited state electronic structure of correlated systems. Theoretical ...