Performance of time-dependent density functional and green functions methods for calculations of excitation energies in radicals and for Rydberg electronic states Article

Zyubin, AS, Mebel, AM. (2003). Performance of time-dependent density functional and green functions methods for calculations of excitation energies in radicals and for Rydberg electronic states . JOURNAL OF COMPUTATIONAL CHEMISTRY, 24(6), 692-700. 10.1002/jcc.10220

International Collaboration

cited authors

  • Zyubin, AS; Mebel, AM

authors

publication date

  • April 30, 2003

published in

keywords

  • AB-INITIO
  • CLUSTER-EXPANSION
  • CONFIGURATION-INTERACTION
  • Chemistry
  • Chemistry, Multidisciplinary
  • EXCITED-STATES
  • OPTICAL-PROPERTIES
  • PERTURBATION-THEORY
  • POINT-DEFECTS
  • PYRENE
  • Physical Sciences
  • Rydberg electronic states
  • SPECTRA
  • Science & Technology
  • WAVE-FUNCTION
  • excited electronic states
  • outer valence Green functions method
  • point defects in silica
  • time-dependent density functional theory

Digital Object Identifier (DOI)

publisher

  • WILEY

start page

  • 692

end page

  • 700

volume

  • 24

issue

  • 6