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About Theoretical Chemistry
The use of mathematical and computational methods to build theories explaining observations of chemical reactions, such as quantum chemistry.
I am using camb3lyp/631g(d) POLAR cphf=rdfreq in gaussian 09 to
calculate the frequencydependent hyperpolarizability. Finally I got 18 beta tensor elements.
Do you know exactly what these 18 tensors are?
and how i can obtain B(2w,w,w) from these 18 tensor?
thank you very much