oct-propagation_spectrum

• Optical spectra from time-propagation   Absorption spectrum of a molecule from the explicit solution of the time-dependent Kohn-Sham equations: methane
• Convergence of the optical spectra   Convergence study of the spectrum with respect to the grid parameters.
• Triplet excitations   Calculate triplet excitations for methane with time-propagation and Casida methods.
• Use of symmetries in optical spectra from time-propagation   Reduce the number of time-propagations required to compute the absorption cross-section.