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#1 2019-09-23 12:58:47

Sarah
Member
Registered: 2016-08-01
Posts: 40

About: [SOLVED] Spin-orbit coupling between siglet and triplet states

Dear Ignacio,

I have a question regarding a previously discussed topic ([SOLVED] Spin-orbit coupling between siglet and triplet states).
what would be the final coupling between S_1 and T_2? should we sum over the coupling values (2 to 6 and 2 to 7) which makes 42.936 for the SO coupling from S_1 to T_2?

PS. I have asked the same question as a quote for the topic but I am asking here again because I am not sure if making a quote is a correct way of asking a question on top of an old discussion.

Best,
Sarah

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#2 2019-09-30 09:19:13

nikolay
Member
From: Stuttgart
Registered: 2016-03-21
Posts: 54

Re: About: [SOLVED] Spin-orbit coupling between siglet and triplet states

Hello Sarah,

Once you enable SOC, spin is not good quantum number anymore.
Therefore one has to treat each component of the triplet as individual state and the 'final coupling between S_1 and T_2' has three components.

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