A recently developed dynamical mean-field theory, in the iterated perturbation theory approximation, was used as a basis for the construction of a 'first-principles' calculation scheme for investigating the electronic structure of strongly correlated electron systems. This scheme is based on the local density approximation (LDA) within the framework of the linearized muffintin orbitals (LMTO) method. The classical example of the doped Mott insulator La1-xSrxTiO3 was studied by the new method, and the results showed qualitative improvement when compared with experimental photoemission spectra.
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Condensed Matter Physics