@article{325,
  keywords = {paper, photoemission, optical absorption, electron energy-loss spectroscopy, time-dependent density-functional theory, ab initio electronic spectra},
  author = {L. Dash and Fabien Bruneval and Trinite V and N Vast and Lucia Reining},
  title = {Electronic excitations: Ab initio calculations of electronic spectra and application to zirconia ZrO2, titania TiO(2)and cuprous oxide Cu2O},
  abstract = {We address the question of the prediction and interpretation of experimental spectra obtained by the excitation of valence electrons, such as valence photoemission spectra, Bremsstrahlung isochromat spectra (BIS), electron energy-loss spectra (EELS) or absorption spectra using ab initio methods. We discuss which levels of theory are appropriate for which experiment, from ground-state density-functional calculations to the random phase approximation and time-dependent density-functional methods, and also discuss many body effects in the quasiparticle framework. We show applications of these methods to three different transition-metal oxide systems: ZrO2, TiO2 and Cu2O. (c) 2006 Elsevier B.V. All rights reserved.},
  year = {2007},
  journal = {Comp. Mat. Science},
  volume = {38},
  number = {3},
  pages = {482-493},
  month = {JAN},
  publisher = {ELSEVIER SCIENCE BV},
  address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
  url = {http://dx.doi.org/10.1016/j.commatsci.2005.09.010},
  doi = {10.1016/j.commatsci.2005.09.010},
  note = {International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2004), Athens, GREECE, NOV 19-23, 2004},
}