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#1 2022-01-10 21:24:22
- chemphys
- Member
- Registered: 2020-11-10
- Posts: 27
Spin-rotation constants?
Hello,
I know how to compute spin-orbit coupling with RASSI, but is there a way to compute electronic spin-rotation constants as well + compare them?
Like this paper here:
https://www.tandfonline.com/doi/pdf/10. … 6500100761
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