Using this program one have access to the information about the Raman and Hyper-Raman tensors, it calculates the tensors in different orientations. A tensor of rank n transform according to the following expression:
The Raman tensor is a second rank tensor and it transforms according to the following expression:
This expression can be written as:
The Hyper-Raman tensor is a third rank tensor and it transforms as:
Input of the program:
The parameters that one should introduce in the program are:
- The type of tensor
- The point group
One can select the point group directly from a menu or one can introduce the space group number.
Giving the Euler angles one can introduce the orienation in the following form:
Output of the program:
- The original tensors
The program shows the untransformed tensors.
- The transformed tensors
The program calculate the transformation of the tensors and it relabeled the parameters of the new tensors. After the table which contains the information about the new tensors there is a link which shows how are related the transformed parameters with the original ones.
- Raman Tensors
In the input of the program it is selected the Raman tensor type and the point group C4v (4mm). The next information one have to introduce is the orientation:
θ = 90; φ = 0; Ψ= 0
Once all the parameters are introduced, click on the button Continue and the program will calculate the Raman tensors in the given orientation. In the first part of the output one can find the information about the original Raman tensors:
After this one can find the transformed Raman tensors and the matrix form for the rotation one had introduced by the Euler angles:
After the table there is a link where one can obtain the relations between the old and new parameters of the tensors.