B-spline stability

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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B-spline stability #26

Closed benroberts999 closed 5 months ago

benroberts999 commented 2 years ago

Also: sign of some basis functions wrong (not just w/ Breit)?
Different versions working
Sensitive to r0(spl); especially for higher l states, and when including Breit

benroberts999 commented 5 months ago

Can't really reproduce; could always be better, but I don't notice any major instabilities. Also works well using Johnson-type splines

Code input/output: basis.txt

Code input/output: basis-Johnson.txt