Scattering theory electron-molecule

A type of molecular resonance scattering can also occur from the formation of short-lived negative ions due to electron capture by molecules on surfrices. While this is frequently observed for molecules in the gas phase, it is not so important for chemisorbed molecules on metal surfaces because of extremely rapid quenching (electron transfer to the substrate) of the negative ion. Observations have been made for this scattering mechanism in several chemisorbed systems and in phys-isorbed layers, with the effects usually observed as smaU deviations of the cross section for inelastic scattering from that predicted from dipole scattering theory. 

As in scattering theory in general, one can treat the role of V in either a time independent or a time dependent point of view. The latter is simpler if the perturbation V is either explicitly time dependent or can be approximated as such, say by replacing the approach motion during the collision by a classical path. Algebraic methods have been particularly useful in that context,2 where an important aspect is the description of a realistic level structure for H0. Figure 8.3 is a very recent application to electron-molecule scattering. 

An analogous quantity, the generalized oscillator strength, is found to be useful in electron-scattering theory. It is a function of the momentum K transferred from the incident electron to the molecule and has the form5... 

This part introduces variational principles relevant to the quantum mechanics of bound stationary states. Chapter 4 covers well-known variational theory that underlies modern computational methodology for electronic states of atoms and molecules. Extension to condensed matter is deferred until Part III, since continuum theory is part of the formal basis of the multiple scattering theory that has been developed for applications in this subfield. Chapter 5 develops the variational theory that underlies independent-electron models, now widely used to transcend the practical limitations of direct variational methods for large systems. This is extended in Chapter 6 to time-dependent variational theory in the context of independent-electron models, including linear-response theory and its relationship to excitation energies. 

Domcke, W., Cederbaum, L.S. and Kaspar, F. (1979). Threshold phenomena in electron-molecule scattering a nonadiabatic theory, J. Phys. B 12, L359-L364. 

Nesbet, R.K. and Grimm-Bosbach, T. (1993). Use of a discrete complete set of vibrational basis functions in nonadiabatic theories of electron-molecule scattering, J. Phys. B 26, L423-L426. 

Temkin, A. (1976). Some recent developments in electron-molecule scattering theory and calculation, Comments At. Mol. Phys. 5, 129-139. 

LEED does not only reveal the relative periodicities of the adsorbate mesh with respect to the substrate lattice. Applying dynamical scattering theory, i.e., modeling the scattering intensity of diffracted beams versus electron energy (so-called I-V curves), allows determination of absolute positions of atoms on the surface [20]. Unfortunately, the complexity of the method limits the number of atoms per unit cell and makes it applicable only to atomic or small-molecule lattices. 

Finally, in a recent paper, Yeganeh et al. suggest that the large asymmetries seen in polarized electron transmission are partly due to a combination of the presence of a molecule with axial chirality, surface orientation, and cooperative effects in the monolayer [129]. They use scattering theory to show that differences in transmitted intensity arise from the preferential transmission of electrons whose polarization is oriented in the same direction as the sense of advance of the helix. 

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