Methods and Software for Electron-Phonon Physics - IPAM at UCLA

Explore electron-phonon physics in this 55-minute lecture by Feliciano Giustino from the University of Texas at Austin, presented at IPAM's Model Reduction in Quantum Mechanics Workshop. Delve into topics such as many-body Schrödinger equations, spectral density functions, and electron-phonon matrix elements. Examine real-world examples including the non-adiabatic Kohn anomaly in diamond and electron polarons in LiF. Gain insights into the challenges of Brillouin Zone sampling and phonon-driven electron localization. Discover methods and software used in this field, enhancing your understanding of computational approaches in quantum mechanics and materials science.

Oden Institute for Computational Engineering and Sciences
Some manifestations of electron-phonon interactions
Many-body Schrödinger equation for electrons and nuclei
Spectral density function
EOM for the Green's function
Example: Non-adiabatic Kohnanomaly in diamond
The electron-phonon matric element
The challenge of Brillouin Zone sampling
Example: EP matrix elements of various semiconductors
Polarons in materials
Phonon-driven electron localization
Electron polaron in LiF: electron wavefunction
Summary