Electron wave functions for two

Until now we have implicitly assumed that our problem is formulated in a space-fixed coordinate system. However, electronic wave functions are naturally expressed in the system bound to the molecule otherwise they generally also depend on the rotational coordinate 4>. (This is not the case for E electronic states, for which the wave functions are invariant with respect to (j> ) The eigenfunctions of the electronic Hamiltonian, v / and v , computed in the framework of the BO approximation ( adiabatic electronic wave functions) for two electronic states into which a spatially degenerate state of linear molecule splits upon bending. 

Fig. 6.2. Electron wave functions for two metal electrodes separated by a thin insulating layer showing quantum mechanical tunneling with exponential decay of the wave function in the barrier (a) the wave function of electrode 1 extending smoothly across the entire tunnel junction structure (b) separate wave functions for electrodes 1 and 2, xjj and Jp2 respectively [modified from reference 6.10] The wave functions have been offset from the Fermi level for clarity.

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See also in sourсe #XX -- [ ]

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