Year: 2001
Type: article
Abstract: We show that the formally exact expression for the free energy (with a nonrelativistic Hamiltonian) for the correlated metal generates the Poisson equation within the saddle-point approximation for the electric potential, where the charge density automatically includes correlations. In this approximation the problem is reduced to the self-consistent periodical Anderson model. The parameter of the mixing interaction in this formulation have to be found self-consistently together with the correlated charge density. The factors, calculated by Irkhin, for the mixing interaction, which reflect the structure of the many-electron states of the $f$ ion involved, arise automatically in this formulation and are quite sensitive to the specific element we are interested in. We also discuss the definitions of the mixing interaction for the mapping from ab initio to model calculations.
Authors: U. Lundin, I. Sandalov, O. Eriksson
Institution: Uppsala University
Language: English
Subfield: Condensed Matter Physics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W1983591833