32. Prof. John Perdew - Density Functionals, Symmetry Breaking, and Strong Correlation

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  • เผยแพร่เมื่อ 21 ธ.ค. 2024

ความคิดเห็น • 4

  • @gauravjoshi8194
    @gauravjoshi8194 ปีที่แล้ว

    Thank you for sharing such an informative lecture. It has been genuinely helpful.

  • @ElectrochemicalColloquium
    @ElectrochemicalColloquium  ปีที่แล้ว +2

    First part:
    00:00 - Introduction
    02:02 - Beginning of the talk
    03:50 - Correlated Wavefunction Theory and DFT
    16:38 - Accomplishments and Challenges of DFT
    13:27 - Hohenberg-Kohn theorem
    27:14 - The Kohn-Sham approach
    40:46 - Summary for the introductory part
    Q&A part 1:
    42:43 - Q1: Ways to solve the many-body problem other than DFT?
    44:54 - Q2: Kohn-Sham one-electron orbitals
    46:30 - Q3: Predicting ground states through machine learning from DFT
    Second part:
    52:30 - More predictive density functions
    54:49 - Construction of DFT approximations
    1:00:45 - SCAN: Construction, successes and failures
    1:14:59 - Symmetry breaking and strong correlations in DFT
    1:28:57 - Spin symmetry breaking in singlet C2 molecule
    1:37:11 - Conclusions (2nd)
    Q&A part 2:
    1:39:08 - Q4: Ab initio methods or DFT?
    1:41:06 - Q5: Singlet C2
    1:44:17 - Q6: Exact functionals
    1:46:40 - Q7: Poles in TD-DFT
    1:50:29 - Q8: Broken symmetry
    1:51:24 - Q9: Double hybrids
    1:54:26 - Q10: Get better metallic properties with SCAN
    1:56:03 - Q11: Hydrogen bonds on a metal surface
    1:58:32 - Q12: Superconductivity with DFT
    2:00:39 - Q13: How DFT accuracy should be assessed?
    2:02:22 - Q14: How should we compare DFT with experiments?
    2:05:13 - Q15: What DFT accuracy are we pursuing?

  • @marawanahmed7829
    @marawanahmed7829 ปีที่แล้ว +3

    I enjoy listening to those giants, thanks so much for sharing these videos, absolutely fabulous.