Topic
Review methods and codes for first principle calculation of electron-phonon couplings
Scope
- To discuss: model, approximations, how to calculate coupligs, applications
- Electron-phonon Hamiltonians, see e.g. this one
- Ad hoc fitting [Trushkov17]
- Deformation potential theory [Bardeen50]
- Displaced harmonic oscillator model, see e.g. here [Zhugayevych15]. See these slides.
- Density-functional perturbation theory [Giustino17]
- Finite differences [Monserrat18]
- Codes: Abinit, EPW (Electron-Phonon Wannier as part of Quantum Espresso)
- Illustrative applications (per your personal research project, e.g. resonance Raman spectra [Gillet17,Baiardi14])
- Related: methods of MO localization (Wannier, psi4, NBO, projection)
- Related: methods of normal mode localization
References