Generalised input options for RPA (+SR)

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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Generalised input options for RPA (+SR) #38

Open benroberts999 opened 6 months ago

benroberts999 commented 6 months ago

Allow a basis string be specified for Structure Radiation (and diagram RPA!), similar to CI case
Make consistent input block structure

benroberts999 commented 4 months ago

Same also for including Sigma into Breit - see #40

benroberts999 commented 2 months ago

Update: Have standardised options for RPA (and SR module?): Include, e.g.,

method
eps target
max_iterations
damping factor
Basis string (only diagram, basis)
n_min_core (in theory, all)