Hi,
This is going to be a tricky question to phrase given that I am not too familiar with the subject matter. I was discussing Gaussian results with one of the earlier developers last week. We (more from his side) got on the discussion of the error in reported energy being scrambled/nullified due to "soft harmonic oscillators" in the vibration of some groups, in particular rotating groups.
Could anyone with a lot more experience than I, expand on what I think he was discussing, and perhaps point me towards some literature.
Hi, there is not enough information for me to do anything,
Tamara
More information is needed. By 'soft harmonic oscillators' , do you mean 'low frequency modes'? By 'reported energy', do you mean 'absolute energy' or 'free energy'?
I know the book titled "The soft shells", it gives the theory of deformation for thin films but for macro object.
Or do You mean the model of the oscillator in the structure of the atom, because you are talking about energy?
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