Molecular Quantum Dot Cellular Automata: Localization and Cell-cell Response in Tetrameric Mixed-valence Units

Our interest in this article is prompted by the vibronic problem of charge polarized states in the four-dot molecular quantum cellular automata (mQCA), a paradigm for nanoelectronics, in which binary information is encoded in charge configuration of the mQCA cell. The polarization of the cell is evaluated and we show how the partial delocalization caused by the joint action of the vibronic coupling and electron transfer processes influences polarization of a four-dot cell. The results obtained within the adiabatic approach are compared with those based on the numerical solution of the dynamic vibronic problem. The Coulomb interaction between the cells is considered and the influence of the vibronic coupling on the shape on the cell-cell response is revealed.