Many-Body Contribution to the Energy of Metals with B.C.C. Lattice Academic Article uri icon

abstract

  • The Fourier transforms of covalent charge density and the contribution of the third and fourth order of perturbation series for the energy (E) of alkali and some transition metals are calculated on the basis of self-consistent Brillouin-Wigner pseudopotential perturbation theory. The scattering of electrons on the planes of the first and second Brillouin zones in the b.c.c. lattice is taken into account. It is shown that the value E is of the same order as the heat of polymorphic transition. The convergence of perturbation series in pseudopotential theory for the calculation of transition metal energy with Animalu's form-factors is investigated. [Russian Text Ignored].

publication date

  • October 1, 1985