Rezumat
CZU 538.9+539.1.01+539.189
DOI https://doi.org/10.52577/eom.2026.62.3.30
The localization dynamics of a shared electron in a nanocluster with a different number of centers in an external low-frequency electric field is described. The time dependences of the probability amplitudes for finding an electron at different cluster centers were obtained as numerical solutions to a model system of differential equations for various values of the model parameters. The proposed model system is applied to pentamers and trimers and allows for various geometric configurations of nanoclusters to be taken into account. In constructing a theoretical model, the nanocluster centers were assumed to be weakly tunnel-coupled, while the electron-vibrational coupling of the shared electron with the ligand environment at each cluster center was considered to be significant. Tunneling was taken into account only between the nearest neighboring cluster centers, each of which had a core and a ligand shell, and such composite centers were assumed to be equivalent. As a result of numerical modeling for the trimer and pentamer, it was shown that an external electric field acts as a control factor, since variations in its frequency and strength amplitude lead to the implementation of various regimes of electron localization in nanoclusters. In general, the electron density distribution regimes in the trimer and pentamer are characterized by the shape of their time dependence, the duration of localization at cluster centers, and the duration of intercenter switching of electron localization. Variations in the electric field parameters provide adjustment and control of those characteristics. A comparative analysis of the obtained results shows that in a five-center nanocluster, which can also be considered to be a trimer with dimerized ends, and a three-center nanocluster, the dynamics of the electron density distribution is practically identical.
Keywords: multicenter nanocluster, trimer, pentamer, ligand shell, low-frequency electric field, electron-vibrational interaction, electron localization.