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Perturbative treatment of electronic correlations in time-dependent collision processes

E C Goldberg and M C G Passeggi

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The Green function formalism introduced by Keldysh for irreversible processes is applied to the calculation of the time-dependent charge exchange probabilities in scattering problems. Considering the initial state of two non-interacting subsystems described by an independent particle model, their interaction is taken in a first stage, as evolving in time according to a time-dependent Hartree - Fock (TDHF) scheme. The equations of motion for the two-times Green functions are subsequently obtained in Dyson-like form by including the residual electronic correlations expanded perturbatively up to second order. It is shown that, by solving these equations of motion, this in turn allows one to calculate the two-particle correlation functions at equal times, as required to describe the fractions of charge in each subsystem. This procedure contrasts with that of considering expectation values of the correlation functions taken between the corrected TDHF state up to an equivalent order in the perturbation. In order to test the advantages of this method we have applied this scheme to the scattering of an atom from a three-substrate atom chain described by an Anderson Hamiltonian, where comparisons with exact solutions can be easily established. We found that, in this case, the fractions of charges carried by the scattered particle obtained with our proposal compare fairly well with exact results, within an ample range of parameter selection.


PACS

71.45.Gm Exchange, correlation, dielectric and magnetic response functions, plasmons

73.20.At Surface states, band structure, electron density of states

73.20.Fz Weak or Anderson localization

Subjects

Condensed matter: electrical, magnetic and optical

Surfaces, interfaces and thin films

Dates

Issue 41 (7 October 1996)

Received 21 February 1996, in final form 3 June 1996



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