Resonances orbiting

An alternative rationalization a resonant orbital and rotational motion. 

The shape resonances are believed to result when the impinging electron is temporarily captured in an unoccupied orbital of the target /17-19/. While qualitative correlation between orbital shapes and electron-scattering resonances has been attempted earlier /17,18,64/, a quantitative investigation of the resonant orbital(s) has not been undertaken so far since any study of this nature first and foremost, requires a reliable mechanism for an unequivocal identification of the resonant orbital from other unoccupied (virtual) orbitals of the target. We have shown that the dilated electron propagator based on the bi-variational SCF may be successfully used to isolate the resonant or-bital/Feynman Dyson amplitudes which characterize the 2P shape resonances in e-Be, e-Mg and e-Ca scattering /25,26,39-41/. 

The radial charge density from the resonant orbital is displayed in fig. 15. and the number of radial nodes identify this as a 4p orbital and not the lowest 2p that one would have expected from the successful qualitative correlation of LUMOs with resonances in e-molecule scattering /18/. However, the accumulation of the radial charge density distribution at small r values is a strong reminder of the 2p type orbital density distribution /120/. This feature,... 

The orbital picture is at the core of quantum-chemical thinking /122/ and a rigorous probe of this picture is clearly desirable. Though an orbital picture of resonance formation has persisted for long /18,19/, in the absence of a simple and unequivocal mechanism to identify the resonant orbital, its portrayal... 

Fig.2a. Trajectory for the real and imaginary parts of the resonant orbital energy E denoted by dots ( ) as a function of the real scale factor p. The starting value is p = 0.65 at top left, and the increment Ap is 0.025. The rotation angle is fixed at a = 0.38.

RESONANT ORBITAL REARRANGEMENT DURING F Is IONIZATION OR DECAY PROCESS... 

From the discussions of this chapter, origin of the M line in the F KW Auger spectrum is now well understood, which is the resonant orbital rearrangement, ROR. 

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