Relativistic corrections in the multiple-scattering method |
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Authors: | Wanda VM Machado Luiz G Ferreira |
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Institution: | Instituto de Física, Universidade de São Paulo, São Paulo, Brazil |
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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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