Application of the variational cluster approximation to NiO and LaCoO3

 

Robert Eder

Center for Frontier Science, Chiba University and Karlsruhe Institute of Technology, Germany

 

Abstract:

Stronly correlated electron systems such as 3d transition metal oxides pose a difficult problem for electronic structure calculations.  One of the recently proposed methods for dealing with such systems is the variational cluster approximation.  After a brief explanation of the basic ideas behind this scheme, results for the photoemission spectra of NiO, CoO and MnO are compared to experiment and a discussion of the spin-state transition in

LaCoO3 is given.