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
16 stars 6 forks source link

B-splines #9

Closed benroberts999 closed 2 years ago

benroberts999 commented 3 years ago

Some basis instabilities

Despite the observed instabilities (sometimes get wrong sign, sometimes get spurious states), the basis always passes all the tests (completeness, low-r behaviour etc. etc.)