Condensed Matter Physics, 2008, vol. 11, No. 4(56), p. 641-651
DOI:10.5488/CMP.11.4.641
Title:
Semi-infinite metal: perturbative treatment based on semi-infinite jellium
Author(s):
 
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P.P. Kostrobij
(Lviv Polytechnic National University, 12, S.Bandera Str., Lviv 79013, Ukraine)
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B.M. Markovych
(Lviv Polytechnic National University, 12, S.Bandera Str., Lviv 79013, Ukraine)
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Energy of electronic subsystem of semi-infinite metal is presented in the form of an expansion in powers of pseudo-potential. It is shown that generally electron many-particle density matrices are necessary for the energy calculation, whereas in case of a local pseudo-potential only diagonal elements (electron distribution functions) are necessary. In a specific case of a local pseudo-potential within the first order of perturbation theory, our results for energy coincide with those widely applicable in the density functional theory.
Key words:
partition function, pseudo-potential, many-particle density matrix
PACS:
71.45.Gm, 71.10.-w, 73.20.-r
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