Y. Gaididei et al., ORIENTATIONAL L, D AND POLARIZATION DEFECTS AS COUPLED QUANTUM NONLINEAR EXCITATIONS IN HYDROGEN-BONDED SYSTEMS, Journal of molecular structure, 322, 1994, pp. 157-164
We have studied the proton structure and energy of a D (or an L) defec
t in a zig-zag hydrogen-bonded system. It is shown that the extra (or
missing) proton lowers its energy by creating a polarisation defect to
which it is coupled. We used a quantum description with intrasite and
intersite tunneling, while taking into account the polarisation state
of the neighboring bonds. In the case of a localised defect a compari
son is made with classical double-well potential results.