On a Consistent Quantum Adiabatic Theory of Molecules

Abstract

We point out certain inconsistency in the foundations of the standard adiabatic method in quantum theory of molecules. As an alternative, we develop a particular approach that overcomes the appointed inconsistency. Based on this new approach, some interesting physical results come to the scope. First, we point out that the adiabatic method is substantially state-of-the-molecule dependent. E.g., the method distinguishes the denite conformations as a kind of the preferred states of a molecule. Second, the existence of the local minima for the eective potential for the nuclei system appears as a kind of a necessary condition for the validity of the adiabatic method. However, our approach does not fully answer