Electron Correlations in Transition Metals

K. S. Singwi, Monica Tosi, Alf Sjölander

Yu. A. Babanw, V. E. Naǐsh, O. B. Sokolov +1 more

Arisato Kawabata

Metal insulator transition is investigated on the Hubbard model of which the interatomic hopping energy is dependent on the volume of the system. The electron correlation is treated with the use of the method developed by the author before. It is shown that a first order transition with a critical point exist for an appropriate values of parameters although the result is quantitatively unsatisfactory.

Gian Luigi Bendazzoli, Stefano Evangelisti, Antonio Monari

Abstract The metal‐insulator transition induced by electron correlation (Mott transition) is studied with ab initio full CI methods in model systems. These are linear chains of equally spaced hydrogen atoms. Different indicators of the metal‐insulator transition (maximum of the localization tensor or of the polarizability) areused and discussed. It is shown that the different indicators give concordant results, and that the transition is associated to a change in electron correlation, measured by the “particle‐hole” symmetric correlation entropy. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem 111:3416–3423, 2011

J. Friedel

Peter Fulde