Breit/Sigma memory issue

benroberts999 / ampsci

A c++ program for high-precision atomic structure calculations of one and two valence systems. Uses Hartree-Fock + correlation potential method. Can calculate ionisation cross sections with large of energy/momentum transfer.

https://ampsci.dev

MIT License

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Breit/Sigma memory issue #40

Open benroberts999 opened 1 month ago

benroberts999 commented 1 month ago

Including Breit into correlations uses absurd memory
Maybe can be made more efficient?
At the very least, allow a "basis string" input to limit number Breit integrals required to be stored

benroberts999 commented 1 month ago

Actually: think it's (diagram) RPA!