ISTPC/2024/GFQC.md

Green’s Functions in Quantum Chemistry

• Lowdin partitioning technique
• Definition of the Green’s function
• Physical interpretation of the one- and two-body self-energy
• Dyson equation
• Matrix representation of G
• Example for the HF Green’s function
• Solving the Dyson equation (diagonal approximation, linearization, etc)
• Renormalization factor and spectral function
• Example of self-energy: the GW self-energy
• GW quasiparticle and satellites
• RPA problem
• Self-consistent procedure and approximations (G0W0, evGW, qsGW)
• Algorithm