adcc
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Fix small inconsistencies in ExcitedStates
I think there are a few inconsistencies in ExcitedStates, for example that we only allow using the length gauge for the plot_spectrum. Also the plot_spectrum function is getting a bit messy. I'll try to correct this here.
Some questions to @maxscheurer:
- What gauge is used for our rotatory strengths? Always velocity, right?
- Also do you have a good reference (paper, textbook) for the rotatory strength calculation. I think we should probably add one in the code.
What gauge is used for our rotatory strengths? Always velocity, right?
Yes, in adcc we only use velocity gauge.
Also do you have a good reference (paper, textbook) for the rotatory strength calculation
We should ask @Drrehn, he's the expert. I guess it's somewhere in the Molecular Properties book?