E C Goldberg and M C G Passeggi 1996 J. Phys.: Condens. Matter 8 7637 doi:10.1088/0953-8984/8/41/011
E C Goldberg and M C G Passeggi
Show affiliationsThe 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.
71.45.Gm Exchange, correlation, dielectric and magnetic response functions, plasmons
73.20.At Surface states, band structure, electron density of states
Issue 41 (7 October 1996)
Received 21 February 1996, in final form 3 June 1996
E C Goldberg and M C G Passeggi 1996 J. Phys.: Condens. Matter 8 7637
J C Jaeger and E R Hoskins 1966 Br. J. Appl. Phys. 17 685
via analytical transfer matrix method
Artit Hutem and Chanun Sricheewin 2008 Eur. J. Phys. 29 577
J F Rabek et al 1986 J. Phys. E: Sci. Instrum. 19 364
G Zanchi et al 1980 J. Phys. D: Appl. Phys. 13 1589
Astrid Franz 2000 Nonlinearity 13 1425
Pedro Gómez Venegas and Ramón Mendoza 2006 Inverse Problems 22 1575
Swarnendu Sen and Ishwar K Puri 2004 Nanotechnology 15 264
Marnix Coppens et al 1997 J. Phys. A: Math. Gen. 30 L173
Rabin Banerjee and Biswajit Chakraborty 2002 J. Phys. A: Math. Gen. 35 2183