Full-potential multiple scattering theory

Nesbet, R.K. (1990). Full-potential multiple scattering theory, Phys. Rev. B 41, 4948 952. 

Figure 5.16 Top experimental normal emission (T-L) ARUPS spectrum for Cu (111), hv = 21.2 eV (Geriach etal. 1998). Bottom corresponding calculated ARUPS spectram using the muffin-tin approximation and the full potential version of relativistic multiple scattering theory. Reproduced with permission from Fluchtmann et aL (1998). Elsevier Science.

We have provided a pedagogical derivation of the traditional, nonrelativistic form of multiple scattering theory based on the optical potential formalism. We have also discussed in detail each of the important advances made over the past ten years in the numerical application of the NR formalism. These include the full-folding calculation of the first-order optical potential, off-shell NN t-matrix contributions, relativistic kinematics and Lorentz boost of the NN t-matrix, electromagnetic effects, medium corrections arising from Pauli blocking and binding potentials in intermediate states, nucleon... 

More recently real-space, multiple-scattering theory codes going beyond the MT approximation have been written (ENESHX and CNTSHX) based on the non-MT (or full-potential (FP)) multiple-scattered-wave (MSW) theory of Natoli et al, which evolved from the ENERGY/CONTINUUM suite. 

A pedagogical discussion of nonrelativistic multiple scattering formalisms is presented, followed by a description of the approximation schemes used in numerical applications of the theory. Recent theoretical developments in the nonrelativistic approach, including medium corrections to the effective projectile-taiget nucleon interaction, off-shell contributions, and full integration ( full-folding ) of the nucleon-nucleus optical potential are discussed in detail. 

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