Calculation of photoemission spectra of the doped Mott insulator   La_{1-x}Sr_xTiO_3 using LDA+DMFT(QMC)
  The spectral properties of La$_{1-x}$Sr$_{x}$TiO$_{3}$, a doped Mott insulator with strong Coulomb correlations, are calculated with the ab initio computational scheme LDA+DMFT(QMC). It starts from the non-interacting electronic band structure as calculated by the local density approximation (LDA), and introduces the missing correlations by the dynamical mean-field theory (DMFT), using numerically exact quantum Monte-Carlo (QMC) techniques to solve the resulting self-consistent multi-band single-impurity problem. The results of the LDA+DMFT(QMC) approach for the photoemission spectra of La$_{1-x}$Sr$_{x}$TiO$_{3}$ are in good agreement with experiment and represent a considerable qualitative and quantitative improvement on standard LDA calculations. 
I.A. Nekrasov, K. Held, N. Bl\"umer, A.I. Poteryaev, V.I. Anisimov,   and D. Vollhardt