Application of the variational cluster approximation to NiO and LaCoO3
Center for Frontier Science,
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.