Published 1986 | Version v1
Book

An approach to electron correlation beyond the local spin density approximation

  • 1. Technischen Univ. Clausthal, Clausthal-Zellerfeld

Description

The authors derive an expression for E /sub xc/ (rho) which is entirely general and applies to any particle density and in particular to any degree of inhomogeneity. In the next section, the authors derive one-particle equations much along the lines of the paper by Kohn and Sham. Then the authors assume an approximate form for f /sub s,s/ (r'r) which conforms to the N-representability constraints and guarantees the correct image potential dependence at solid surfaces. In conclusion, it was shown that the one-particle equations provide a rigorous scheme for the calculation of ground state properties of N-electron systems

Additional details

Publishing Information

Publisher
Plenum Press.
Imprint Place
New York, NY (USA)
Imprint Title
Local density approximations in quantum chemistry and solid state physics
Journal Page Range
p. 245-262.

Conference

Title
Local density approximations in quantum chemistry and solid state theory conference.
Dates
10-12 Jun 1982.
Place
Copenhagen (Denmark).