A VARIATIONAL APPROACH TO THE STUDY OF SURFACE ELECTRONIC PROPERTIES
- 1 October 1977
- journal article
- Published by EDP Sciences in Le Journal de Physique Colloques
- Vol. 38 (C4) , C4-184
- https://doi.org/10.1051/jphyscol:1977427
Abstract
A variational approach to the study of surface electronic properties is proposed. The method is based on a direct variation of the density matrix and bypasses the intermediate steps of searching for eigenvectors in the conventional self-consistent field theory. The method developed is applicable to clean surfaces as well as to surfaces with adsorbed layers.Keywords
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