Abstract
UDC 538.9+539.189.1
The paper presents a quantum-mechanical model to describe the electron localization dynamics in a tetra-meric cluster under the external low-frequency electric field, taking into account the electron-phonon coupling. A system of differential equations concerning the time-dependent amplitude of the electron localization proba-bility at each of the tetramer centers has been developed. The proposed model is used to describe the tetramers of the linear and cyclic (square-planar) configurations. For both types of the tetramer configuration the numerical calculations were performed at the various values of the model parameters. At the same time, this study focuses on the tetramer in which the centers are weakly tunnel-coupled and the electron-vibrational interaction with the ligand environment at each of the centers is essential. A regulating role of the electric field has been identified, the variation of the amplitude and frequency of which allows to implement different electron localization regimes in a cluster by adjusting the duration of the full localization of an electron on the cluster centers and switching a cluster between the states with the localized and delocalized electron.
Keywords: tetrameric cluster, electron localization dynamics, electric field, electron-vibrational interaction, ligand environment.