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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

20 stars 7 forks source link

Feynman #22

Closed benroberts999 closed 10 months ago

benroberts999 commented 3 years ago

Polarisation operator instability: (#8)
- Fails, e.g., for Cs with n_core < 3
Hole-particle; k=0 vs k=1?
Overall numerical stability
Exchange (2nd order): w1 and w1w2
g-part for Feynman?
Breit issue?