NLO question (second hyperpolarizability tensor)

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Discussion Overview

The discussion revolves around the calculation of the second hyperpolarizability tensor "\beta" for a compound with D(3) symmetry, specifically focusing on how this tensor transforms under coordinate rotations about the z-axis. The conversation includes theoretical considerations related to tensor transformations in the context of nonlinear optics (NLO).

Discussion Character

  • Technical explanation
  • Conceptual clarification
  • Debate/contested

Main Points Raised

  • One participant seeks clarification on the transformation rule for the second hyperpolarizability tensor "\beta" when the coordinate system is rotated, drawing a parallel to the transformation of the polarizability tensor "\alpha".
  • Another participant proposes a transformation rule for the rank-3 tensor "\beta", suggesting that it can be expressed as \(\beta'_{ijk}=\sum_{mnp}\beta_{mnp}T_{mi}T_{nj}T_{pk}\), and notes that this can be generalized to tensors with different numbers of indices.
  • A participant expresses uncertainty regarding the classification of the indices of the tensor "\beta" as contravariant or covariant, indicating difficulty in finding resources that clarify this aspect.
  • There is a request for a specific equation involving the electric field \(E\) and polarization \(P\) to better understand how the indices transform, suggesting a relationship involving both the polarizability and hyperpolarizability tensors.

Areas of Agreement / Disagreement

Participants generally agree on the transformation approach for the hyperpolarizability tensor, but there is uncertainty regarding the classification of the indices as contravariant or covariant, indicating that this aspect remains unresolved.

Contextual Notes

The discussion highlights a lack of consensus on the classification of tensor indices, with participants noting the absence of clear resources on this topic in the literature.

pascal
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I'm working on a calculation of the second hyperpolarizability "\beta" of a compound with D(3) symmetry, and I am trying to figure out how the tensor \beta transforms under a coordinate rotation about the z axis (the three-fold symmetry axis). I know that if we have two bases x and x' with a linear transformation tensor T such that x' = xT, that the "ordinary" polarizability tensors "\alpha" and "\alpha^{\prime}" in the two coordinate systems are related by \alpha^{\prime} = T^{-1} \alpha T, but I'm not sure what the transformation rule is for a rank-3 tensor when the coordinate system is rotated. Thanks for your help.
 
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ah, yes. there are three indices on [tex]\beta[/tex] so you can't treat it as a matrix which transforms by being sandwiched between two other matrices. We have to generalize a bit. Consider the transformation you do know:
[tex] \alpha'=T^{-1}\alpha T[/tex]

Now, the inverse of T is the same as the transpose so I can rewrite this using indices as
[tex] \alpha'_{ij}=\sum_{mn}T^{-1}_{im}\alpha_{mn}T_{nj}=\sum_{mn}\alpha_{mn}T_{mi}T_{nj}[/tex]

So, apparently the correct transformation for a quantity with three indices is
[tex] \beta'_{ijk}=\sum_{mnp}\beta_{mnp}T_{mi}T_{nj}T_{pk}[/tex]

this is easily generalized to high numbers of indices, or lower, e.g. you could reporduce the transformation of a vector. Cheers.

adam
 
Thanks, Adam. That does make sense. The only question I have now is which of the indices are contravariant, and which are covariant? I've looked through MANY NLO books and cannot find any resource that addresses this question.
 
pascal said:
Thanks, Adam. That does make sense. The only question I have now is which of the indices are contravariant, and which are covariant? I've looked through MANY NLO books and cannot find any resource that addresses this question.

No probelm.

Yes, you need to know whether they are contra- or co-variant.

Can you write down the equation for me so that I can see how it should go? I.e., is it something like:
[tex] P_i=\alpha_{ij}E_j+\beta_{ijk}E_jE_k\;?[/tex]
Because you can figure out how the indices transform since you know that E and P are vectors.
 

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