Density functional theory of bipolarons in polar liquids

Using a microscopic model in which electrons are treated within the Kohn–Sham formalism and the solvent via the integral equations theory, we have calculated the energetic and structural characteristics of a singlet bipolaron formation in polar liquids for a wide range of thermodynamic parameters of the solvent. The obtained results indicate that the singlet bipolarons are stable with respect to their decay into two separated electrons in most polar liquids.