SCPA STUDY OF PROTON-TRANSFER IN HYDROGEN-BONDED CHAINS

We propose a one-dimensional hydrogen-bonded chain model, where temper ature is introduced using a variational form of the SCPA method to eva luate the semi-quantum free energy. The parameters of the model are ch osen self-consistently and the hydrogen bond is described by a double Morse interaction. The behaviour of the chain is studied with a defect and without one and the Peierls barrier is calculated. Introduction o f an anharmonic O-O interaction results in slight qualitative changes.