Best Method for Radial Wave Functions

asked by Charles Cardot (2021/04/19 22:22)

I'm looking to use Quanty to study some systems which are not included in the back of Dr. Haverkort's thesis. I understand from the documentation how I can calculate the Slater integrals directly from the radial wave functions, and it seems straightforward to implement that in my existing Quanty scripts. However, I'm not certain about the best route to follow for extracting these radial wave functions. I know that Dr. Haverkort's thesis reference Robert Cowan's RCN code as one of the methods used, but is this still one of the best ways to get these radial wave functions/Slater integrals? Are any recommendations on how I could tackle this issue, perhaps with a newer code?

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