Computational Chemistry and Molecular Modeling
Atomic, Molecular and Optical Physics
Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
The electron-vibrational problem of the general nonadiabatic molecular systems has been solved by means of the quasi-particle transformations. The SCF ab initio solution of the nonadiabatic fermion Hamiltonian yields stabilization of the electronic ground-state energy due to electron-phonon interaction and it also gives the corrections to the one- and two-particle terms. Two two-particle correction yields effective attractive electron-electron interaction, but in the form different from Frölich's effective electron-electron interaction term. In contrast to the standard electron-phonon Hamiltonian of solid-state physics that does not take into account the possible effects of nonadiabaticity of a system, the presented nonadiabatic theory yields also one-particle corrections. The presence of this term in the Hamiltonian might play a crucial role in the theory of superconductivity since the superconductors are nonadiabatic systems.
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