A Hamiltonian for the electron-vibrational-rotational problem in the theory of molecules

详细

On the basis of the use of the generalized (natural) coordinates for the description of electrons and nuclei and the representation of a molecule as a stable geometrical figure, where the electrons and nuclei interact by Coulomb’s law, while nuclei with nuclei interact elastically, a Hamiltonian describing simultaneously the electron and vibrational states and the rotations of a molecule as a whole is proposed.