Some peculiarities of proton transport in quasi-one-dimensional hydrogen-bonded chains
نویسندگان
چکیده
منابع مشابه
Some Peculiarities of Proton Transport in Quasi-One-Dimensional Hydrogen-Bonded Chains
The protonic conductivity in the hydrogen bonded chains is investigated theoretically in the framework of the two-stage transport model. The strong interactions with optical phonon stretching mode are considered. We obtain the transition from the insulator to the metal-type state from the temperature dependencies of the hopping conductivity and analyze the influence of the specific Grotthuss me...
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We develop a temperature-dependent Hartree (TeDH) approach to solving the N-dimensional Schrödinger equation, based on the time dependent Hartree (TDH) approximation, where the Ndimensional Schrödinger equation is approximated as N one-dimensional equations with a time dependent Hamiltonian arising from the mean field potentials. The TeDH method uses the temperature-dependent analog of the TDH ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2000
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.481464