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implement isrmatrix_vector_product #154

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apapapostolou
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Implement and test the matrix-vector product of an ISR one-particle operator through second order in perturbation theory. Both symmetric and asymmetric one-particle operators are allowed.

@maxscheurer
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Thanks for the contribution. I think the implementation should be in line with the AdcMatrix code structure. So one would need to re-group the equations into blocks and then basically copy/paste into the scaffold of the AdcMatrix code. I guess it won't be too much work ☺️

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This looks really good! Just a few comments, tests look good to me. After addressing the comments, we can merge this 🚀

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This looks great! 👍
You want to give this another look, @mfherbst?

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maxscheurer commented Oct 5, 2022

@apapapostolou It would be great if you could try to update the TPA example using your new IsrMatrix instead of the transition densities?

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Thanks a lot for updating the example @apapapostolou 🚀

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Is this ready from your side, @apapapostolou? 😄

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Is this ready from your side, @apapapostolou? 😄

Yes, it is 😄

@maxscheurer maxscheurer merged commit fff7fde into adc-connect:master Oct 16, 2022
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maxscheurer commented Oct 18, 2022

@apapapostolou feel free to create a PR and add yourself to the contributors/authors! 😬
These are listed in setup.py and adcc/__init__.py

@apapapostolou apapapostolou deleted the isrmatrix_vector_product branch October 19, 2022 09:28
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2 participants