Vibrational properties

• Point group symmetry representations
  • Example: The water molecule
• Vibrational modes of the H₂O molecule
• Electron-phonon coupling
  • Introduction
  • Example
  • Code
• (Resonant-)Raman spectra of gas-phase water
  • Accurate Forces from an IR calculation
  • Static Raman from polarizabilities
  • Resonant Raman: Excitations at each displacement
  • References
• Raman spectroscopy for extended systems
  • Phonons
  • Effective Potential
  • Momentum matrix
  • Phonon mode projected electron-phonon matrix
  • Raman spectrum