Post-DFT Green's Function Embedding - IPAM at UCLA

Explore a comprehensive lecture on post-DFT Green's function embedding presented by Dominika Zgid from the University of Michigan at IPAM's Multiscale Approaches in Quantum Mechanics Workshop. Delve into the self-energy embedding theory (SEET), a quantum embedding scheme for accurately describing correlated solids. Examine the application of SEET to molecular examples and solids, focusing on strongly correlated orbitals as subsystems and weakly correlated orbitals as the environment. Investigate the importance of lower-level methods for weak correlation, formal aspects of SEET, and its connection to Green's function functionals. Discover how SEET compares to established wave function quantum chemistry methods through carefully chosen periodic solids and molecular examples. Gain insights into traditional Green's functions, fully self-consistent GW, grids, parallelization, convergence accelerators, weakly correlated theory, embedding techniques, functional approaches, screening interactions, and post-DFT embedding methodologies.

Intro
Traditional Greens function
Fully selfconsistent GW
Grids
Parallelization
Convergence accelerators
Selfconsistent GW
Weekly correlated theory
Embedding
Selfconsistency
Functional set split
Functional approaches
Screening interactions
PostDFT embedding
Screened interactions
Hybridization
Comparison
Examples
Summary