DFTAtom
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aromanro
Density Functional Theory in real space, for atoms, LDA and LSDA
Get the values closer to the NIST values. There are various places where this can be improved, for example the distance from where the integration starts can be adjusted (it's...
It's not a big deal to be implemented and NIST has results that can be used for comparison.
Probably it won't happen, but it's a possible enhancement. See 'How to build an Atom' and https://arxiv.org/abs/1209.1752 The later describes also how to use a non-uniform grid. It's not a...