The triplet excitations

[Daniele Varsano]

Dear Shen,
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Note, method 1 is a triplet calculation, while method 2 it is not. When considering spin-orbit coupling you are in the non collinear regime so you cannot define singlets or triplets.

Best,
Daniele

[Daniele Varsano]

Dear Chenhai,

I don't quite understand the meaning of the last sentence. Does it mean that if the ground state calculation contains SOC, the yambo calculation can directly produce the triplet excitation eigen-energies?

No the two sentences in my old post are not related.

It is also possible to consider noncollinear spin, by calculating a ground state including spin orbs coupling and the BSE will be solved in a spinorial space.

This is a feature of yambo which can deal with spin-orbit coupling by solving the BSE in spinorial space, but these are not triplet excitation as in a non-collinear spin description you do not have triplet and singlet anymore.

Best,
Daniele