Universal Journal of Physics and Application Vol. 6(4), pp. 477 - 494
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ON A CONSISTENT QUANTUM ADIABATIC THEORY OF MOLECULES

AUTHOR(S) INFORMATION: Dugic M. and Jeknic-Dugic

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 definite conformations as a kind of the preferred states of a molecule. Second, the existence of the local minima for the effective 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 the fundamental problem of the origin and stability of the definite (semi-classically well-defined) conformations of the large molecules. To this end, a new approach/theory is needed-as recently proposed within the context of the decoherence theory.