Computational Chemistry and Molecular Modeling
Atomic, Molecular and Optical Physics
Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
The effect of electron-phonon interactions, described by the effective electron-electron interaction mechanism, on the electronic structure of molecular systems has been investigated by the configuration interaction method. For systems with strongly quasi-degenerate electronic states near to the Fermi surface, this interaction mechanism, according to the BCS theory, results in the electronic ground-state energy lowering and in the gap formation. A more rigorous treatment of the configuration interaction method as applied in this paper confirms the electronic ground-state energy lowering, but the obtained results indicate that the effective electron-electron interaction term does not yield the experimentally detected temperature dependence of the gap. Accordingly, the two-particle mechanism seems not to be the key factor for the gap formation and for the microscopic mechanism of superconductivity, which agrees with the results of the molecular nonadiabatic theory of electron-vibrational interactions.
Type of Medium: