## Abstract

We propose a method in which the Wannier functions (WFs) are calculated explicitly and the ab initio full-orbital Hamiltonian is projected onto the WF subspace defined for the partially filled bands of interest. The (Wannier-basis) Hamiltonian calculated in this way together with the Coulomb-interaction term between Wannier orbitals could be used as ab initio setup of the correlation problem which can then be solved within the Dynamical Mean-Field Theory (DMFT) in the framework of the LDA (Local Density Approximation) + DMFT computational scheme. The DMFT results can be used for the calculation of the full-orbital inter-acting Green's function. This Green's function contains spectral, magnetic and electronic properties of the system. Results obtained with this method for SrVO_{3} are reported and compared with new bulk-sensitive photoemission spectra.

Original language | English |
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Pages (from-to) | S90-S92 |

Journal | Physics of Metals and Metallography |

Volume | 99 |

Issue number | SUPPL.1 |

Publication status | Published - 2005 |

Externally published | Yes |