Condensed Matter Physics, 2008, vol. 11, No. 4(56), p. 641651
DOI:10.5488/CMP.11.4.641
Title:
Semiinfinite metal: perturbative treatment based on semiinfinite jellium
Author(s):

P.P. Kostrobij
(Lviv Polytechnic National University, 12, S.Bandera Str., Lviv 79013, Ukraine)
,


B.M. Markovych
(Lviv Polytechnic National University, 12, S.Bandera Str., Lviv 79013, Ukraine)

Energy of electronic subsystem of semiinfinite metal is presented in the form of an expansion in powers of pseudopotential. It is shown that generally electron manyparticle density matrices are necessary for the energy calculation, whereas in case of a local pseudopotential only diagonal elements (electron distribution functions) are necessary. In a specific case of a local pseudopotential 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, pseudopotential, manyparticle density matrix
PACS:
71.45.Gm, 71.10.w, 73.20.r
