Abstract
Abstract The aim of the work is to study the structure of a one-dimensional (1D) bipolaron, taking into account three types of correlation effects: such as interelectronic correlations caused by the direct dependence of the wave function on the distance between electrons as well as the one-center and two-center correlations. Gaussian orbitals with exponentially-correlated multipliers were used for variational calculations. It is shown that in the domain of existence of an 1D optical bipolaron – unlike in a 3D system – a two-center bipolaron is formed. The one-center bipolaron configuration becomes energetically favorable as compared to the two-center one for V C ≤ 1.2 (where V C is interelectronic repulsion parameter). This domain corresponds to an acoustical or acousto-optical bipolaron in the strong-coupling limit.
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