adc-connect / adcc

adcc: Seamlessly connect your program to ADC
https://adc-connect.org
GNU General Public License v3.0
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implement isrmatrix_vector_product #154

Closed apapapostolou closed 1 year ago

apapapostolou commented 1 year ago

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 commented 1 year ago

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 ☺️

maxscheurer commented 1 year ago

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

maxscheurer commented 1 year ago

Thanks a lot for updating the example @apapapostolou πŸš€

maxscheurer commented 1 year ago

Is this ready from your side, @apapapostolou? πŸ˜„

apapapostolou commented 1 year ago

Is this ready from your side, @apapapostolou? πŸ˜„

Yes, it is πŸ˜„

maxscheurer commented 1 year ago

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