Optical response

• 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
  • Code documentation
• 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 and recalculating
  • Analyzing spectrum
  • Quick reference
• Induced density oscillations and electric near field from TDDFT
  • Time-propagation TDDFT
  • Linear response TDDFT (Casida’s equation)
  • References
• Circular dichroism with real-time TDDFT
  • LCAO mode
  • FD mode
  • Origin dependence
  • References
• Radiation-Reaction: Self-consistent Light-Matter interaction with real-time TDDFT
  • References
• Calculation of optical spectra with TDDFT
• Linear dielectric response of an extended system
  • A short introduction
  • Frequency grid
  • Example 1: Optical absorption of semiconductor: Bulk silicon
  • Example 2: Electron energy loss spectra
  • Example 3: Tetrahedron integration (experimental)
  • Technical details:
  • Drude phenomenological scattering rate
  • Useful tips
  • Parameters
  • Details of the DF object
• Nonlinear optical response of an extended system
  • A short introduction
  • Example 1: SHG spectrum of semiconductor: Monolayer MoS2
  • Technical details
  • Useful tips
  • API
• The Quantum Electrostatic Heterostructure (QEH) model
  • Brief overview
  • Constructing a dielectric building block
  • Interlayer excitons in MoS2/WSe2
• Electron energy loss spectrum of silver
• Quasi-particle spectrum in the GW approximation: tutorial
  • Quasi-particle spectrum of bulk diamond
  • Quasi-particle spectrum of two-dimensional materials
  • Including vertex corrections
• The Bethe-Salpeter equation and Excitons
  • Absorption spectrum of bulk silicon
  • Excitons in monolayer MoS2 with Spin-orbit Coupling
  • Magnons in 2D from the Bethe-Salpeter equation
• Simulating an XAS spectrum
  • Spectrum calculation using unoccupied states
  • Haydock recursion method
  • XES
  • Further considerations