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Unit of transition moments
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Topic: Unit of transition moments (Read 8220 times)
barbatti
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Posts: 3
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Unit of transition moments
«
on:
June 30, 2014, 02:51:45 PM »
In a ricc2 output like:
+-----------+-----------------+-----------------+---------------------+
| operator | left moment | right moment | transition strength |
+-----------+-----------------+-----------------+---------------------+
| xdiplen | -0.02793474 | -0.02793474 | 0.00078035 |
| ydiplen | 0.03220984 | 0.03220984 | 0.00103747 |
| zdiplen | 0.01523011 | 0.01523011 | 0.00023196 |
| xdipvel | -0.00252650 | 0.00252650 | 0.00000638 |
| ydipvel | 0.00578001 | -0.00578001 | 0.00003341 |
| zdipvel | 0.00559424 | -0.00559424 | 0.00003130 |
+-----------+-----------------+-----------------+---------------------+
What's the unit of transition moment?
Thanks,
Mario
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Christof
Newbie
Posts: 6
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Re: Unit of transition moments
«
Reply #1 on:
July 18, 2014, 03:46:33 PM »
Hello,
I think it's atomic units, but you can easily check by calculating the oscillator strength form the transition moment and the excitation energy and compare with the one, that is given in the Output,
Best regards
Christof
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Unit of transition moments