Time-dependent density-functional theory (TDDFT)

Currently two different approaches are available:

• Time-propagation TDDFT
  • Ground state
  • Optical photoabsorption spectrum
  • Fourier transformed density and electric near field
  • Time propagation
  • TDDFT reference manual
• Time-propagation TDDFT with LCAO
  • Real-time propagation of LCAO functions
  • Example usage
  • General notes about basis sets
  • Parallelization
  • Modular analysis tools
  • Advanced tutorials
  • References
• Linear response TDDFT
  • Ground state
  • Calculating the Omega Matrix
  • Extracting the spectrum
  • Testing convergence
  • Analysing the transitions
  • Relaxation in the excited state
  • Quick reference
• Linear response TDDFT 2 - indexed version
  • Ground state
  • Calculating response matrix and spectrum
  • Restarting, recalculating and analyzing spectrum
  • Quick reference
• Linear dielectric response of an extended system: theory
  • Introduction
  • Non-interacting density response function
  • Interacting density response function
  • Dielectric function and its relation to spectra
  • The f-sum rule
  • Optical limit (q -> 0)
  • Hilbert Transform
  • PAW terms
• Induced density oscillations and electric near field from TDDFT
  • Time-propagation TDDFT
  • Linear response TDDFT (Casida’s equation)
  • References