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Quantum‐Theoretical Model of Adiabatic Rate Processes in Condensed Systems or at Interfaces
Author(s) -
Lorenz W.,
Engler C.
Publication year - 1984
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221220240
Subject(s) - adiabatic process , anharmonicity , unitary transformation , phonon , quantum , semiconductor , unitary state , charge (physics) , transition rate matrix , physics , chemical physics , chemistry , quantum mechanics , statistics , mathematics , political science , law
A quantum‐theoretical model of rate processes in condensed systems is developed which is capable of treating partial charge transfer phenomena and chemical bond formation. Adiabatic local potential surfaces of a reactive subsystem are subjected to a unitary transformation into species potential surfaces; the phonon‐assisted conversion of chemical species can then be calculated in the common T ‐matrix framework. In numerical calculations, anharmonicity of species potential surfaces and dependences of the electronic transition element upon nuclear coordinates is allowed for. As specific application, photoelectrochemical processes on semiconductor surfaces with fractional electrons or holes are considered.