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A quantum chemical view of charge transfer related to the Jahn–Teller effect involving two-electron functions (geminals) is compared with BCS theory, the Cooper pair, and Bipolaron theory. For different isotope effects, we have proposed a Renner–Teller mechanism for cyclic crystals (instead of linear molecules) and a Jahn–Teller effect for degenerate vibronic states (instead of degenerate electronic states alone). To illustrate examples of special doping structure in superconductors, we consider (YBa2Cu3O7–0.25)4and (Nd2–0.125Ce0.125CuO4–0.625)2×4and employ exciton-like Covalon states to render an improved description of the superconductive mechanism.

In this paper, we studied the equilibrium geometries, the electronic structures and the binding energies of fullerene C32 as well as its hydrogenates and fluorides interactions by the SCF Hartree-Fock calculations using the latest version of GAMESS of ab initio programs. The fullerene C32 is found to have a 1A2' closed-shell ground state in D3d symmetry or a 1EU singlet state in D3h symmetry. It is predicted to be easy to add some hydrogen or fluorine atoms to the C32 cage and to produce a series of derivatives C32H2n,C32F2n (n=l, 3, 6), in which C32H2,C32F2 (D3d), C32H6a,C32F6c(D3h) are more stable. We suggest that this implies that the vertex of triplet pentagons of the C32 cage is an activation site for addition.