2. Separation of variables in a molecular system
We've just outlined the theoretical framework we need to describe molecular quantum physics. We will now implement it to calculate the energy levels of a molecule. As a first step, we'll try to simplify the approach, by separating the degrees of freedom of the molecular system, in accordance with Descartes' second precept: "to divide each of the difficulties I examine, into as many parcels as it is possible and necessary to solve them better". Wherever this results in an approximation, we will emphasize the limits of the description.
2.1 Separation of time variable
We will restrict ourselves to the case, which is not very restrictive in molecular spectroscopy, where the Hamiltonian can be chosen to be independent of time. As we have seen, in this case the Hamiltonian...
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Separation of variables in a molecular system
Contraction of molecular wave functions
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