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Motivation
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Classroom Contents
Quantum Embedding Methods for Correlated Excited States of Point Defects
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- 1 Introduction
- 2 Background
- 3 What are we interested in
- 4 Defects in condensed matter
- 5 Applications of point defects
- 6 Energy scale of point defects
- 7 Field of Quantum Materials
- 8 Motivation
- 9 Embedding theories
- 10 How does the method work
- 11 Defining the correlated subspace
- 12 Linear functions
- 13 Assumptions challenges
- 14 Quantum chemical approach
- 15 Small active space
- 16 Heart rate fog
- 17 Results
- 18 Dependence of DFT
- 19 Double counting
- 20 Double counting with HSE
- 21 Twosided hybrid model
- 22 Conclusion
