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1
Introduction
2
Density Functional Theory
3
Jacobs Ladder
4
Delocalization
5
Dispersion
6
Functional Design
7
Combinatorial Design
8
Survival is the most transferable
9
Data categories
10
Ingredients
11
Outcome
12
How it was done
13
The combinatorial search
14
Numerical performance
15
Group data
16
Conclusion
17
Failure Modes
18
Questions
Description:
Explore an in-depth overview of density functional theory (DFT) methods in this lecture by Prof. Martin Head-Gordon from the University of California, Berkeley. Delve into topics such as Jacob's Ladder, delocalization, dispersion, functional design, and combinatorial approaches. Learn about data categories, ingredients, and outcomes in functional development. Examine numerical performance, group data, and potential failure modes. Gain insights into the latest advancements in DFT through this comprehensive presentation, which was part of the Q-Chem Workshop at the 2023 Virtual Winter School in Computational Chemistry.

Density Functional Theory Overview - 2023 Virtual Winter School in Computational Chemistry

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