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Relativistic corrections in the multiple-scattering method
Authors:Wanda VM Machado  Luiz G Ferreira
Institution:Instituto de Física, Universidade de São Paulo, São Paulo, Brazil
Abstract:We show how to introduce the Foldy-Wouthuysen relativistic corrections in the multiple-scattering method, for the determination of the electronic energy levels of molecules. The present derivation begins from a variational expression where the Foldy-Wouthuysen hamiltonian is inserted, instead of the Schrödinger hamiltonian. The resulting secular equation becomes identical with the standard multiple-scattering secular equation, if one neglects the relativistic correction terms.
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