Optical Absorption

• 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.
• Optical spectra from Casida   Calculate the absorption spectrum of methane using Casida's equations
• Optical spectra from Sternheimer   Calculate optical spectra in the frequency domain from linear response.
• Use of symmetries in optical spectra from time-propagation   Reduce the number of time-propagations required to compute the absorption cross-section.
• Sternheimer linear response   More details on the Sternheimer approach.