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Calculation of the photoelectron orbitals

To obtain the final state wavefunctions needed in evaluating the photoelectron matrix elements, we assume a frozen-core Hartree-Fock model in which the core orbitals are taken to be those of the ion for both ionized and neutral electronic states. The photoelectron orbital, i2), is [Pg.41]

We use an iterative procedure, based on the Schwinger variational principle, to solve the Lippmann-Schwinger equation associated with Eq. (3.63) [250]. The procedure begins by approximating the static-exchange potential of the relaxed ion core by a separable form [Pg.41]


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