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nikolasibalic avatar nikolasibalic commented on June 22, 2024

Hi @HumpyBlumpy ,

Thank you for submitting this issue. I think the difference may be just due to definition of C6, i.e. if you include minus sign in the definition of C6 or you include it in definition of potential. Note that getC6perturbatively assumes that level shift is given by V = - C_6/R^6, for which C6 would be defined as stated in example page. As I see, calculations are consistent with this.

What might caused a confusion was that in description of order of energies in energyDefect2 documentation the order of energies used to be flipped, and seemed to have extra minus sign compared to definition in example notebook. This was just a mistake in documentation, that has been corrected now in e1932c6. Calculations have always been done according to definition of energy defect given in example notebook.

@HumpyBlumpy Please let me know if you agree that this resolves this issue.

from arc-alkali-rydberg-calculator.

nikolasibalic avatar nikolasibalic commented on June 22, 2024

I've added clarification in documentation now (8f85f47). Now the new version of documentation has the point above explained explicitly. I hope that will prevent confusion.

from arc-alkali-rydberg-calculator.

HumpyBlumpy avatar HumpyBlumpy commented on June 22, 2024

Hi Nikola,

I missed the fact that the energy shift is defined with a negative sign.
That does indeed resolve the issue.

Thanks

from arc-alkali-rydberg-calculator.

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