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Prepare notebook for TDA #10

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robertodr opened this issue Mar 16, 2021 · 1 comment

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robertodr commented Mar 16, 2021

It won't be part of the main lesson, but we can leave it as an advanced exercise.

Learning outcomes:

Response equations in the Tamm-Dancoff approximation.
Getting the right integrals.
Assembling the A matrix and diagonalizing it explicitly.
Computing oscillator strengths.
Visualizing transition orbitals.

Discussion questions:

How to avoid storing the full A matrix?
How can we generalize to full RPA?

robertodr self-assigned this

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robertodr commented May 3, 2021

Maybe for the next iteration of the workshop. Definitely something I'd like to do for my own edification 😸

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