Quantum theoretical models of chemical bond formation and partial charge transfer processes in condensed systems, and their extension to processes in electronic non-equilibrium are investigated in this paper with a view to further exploration of electrochemical and photoelectrochemical kinetics on semiconductors. Electrochemical dark and photocurrents on n-III-V-semiconductors are correlated with calculated transition probabilities for atom-group transfer over larger distances (80 to 240 pm), leading to a first estimate of potential surface shapes compatible with experiment. Some specific problems connected with transition probability calculations for heavy-particle transfer in strong anharmonic potentials are considered in detail, including approximation of Franck-Condon transitions in arbitrary potentials by their classical limit.
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Engler, C., Rabe, E., Schultz, H. et al. Quantum theory of chemical bond formation processes in condensed systems: studies towards exploration of electrochemical dark and photoprocesses on semiconductors. Theoret. Chim. Acta 75, 67–80 (1989). https://doi.org/10.1007/BF01151233
- Chemical bond formation
- Condensed systems
- Electrochemical dark