Application of the variational cluster approximation to NiO and LaCoO3


Robert Eder

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



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.