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1
Intro
2
Traditional Greens function
3
Fully selfconsistent GW
4
Grids
5
Parallelization
6
Convergence accelerators
7
Selfconsistent GW
8
Weekly correlated theory
9
Embedding
10
Selfconsistency
11
Functional set split
12
Functional approaches
13
Screening interactions
14
PostDFT embedding
15
Screened interactions
16
Hybridization
17
Comparison
18
Examples
19
Summary
Description:
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. Read more

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

Institute for Pure & Applied Mathematics (IPAM)
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