# Including many-body screening into self-consistent calculations: Tight-binding model studies with the Gutzwiller approximation

Title | Including many-body screening into self-consistent calculations: Tight-binding model studies with the Gutzwiller approximation |

Publication Type | Journal Article |

Year of Publication | 2011 |

Authors | Yao YX, Wang CZ, Ho KM |

Journal Title | Physical Review B |

Volume | 83 |

Pages | 245139 |

Date Published | 06 |

Type of Article | Article |

ISBN Number | 1098-0121 |

Accession Number | WOS:000292254000001 |

Keywords | electronic-structure, mean-field, ni, random-phase-approximation, spectra, strongly correlated systems, theory, transition |

Abstract | We introduce a scheme to include many-body screening processes explicitly into a set of self-consistent equations for electronic-structure calculations using the Gutzwiller approximation. The method is illustrated by the application to a tight-binding model describing the strongly correlated gamma-Ce system. With the inclusion of the 5d electrons into the local Gutzwiller projection subspace, the correct input Coulomb repulsion U(ff) between the 4f electrons for gamma-Ce in the calculations can be pushed far beyond the usual screened value U(ff)(scr) and close to the bare atomic value U(bare)(ff). This indicates that the d-f many-body screening is the dominant contribution to the screening of Uff in this system. The method provides a promising way toward the ab initio Gutzwiller density functional theory. |

DOI | 10.1103/PhysRevB.83.245139 |

Alternate Journal | Phys. Rev. B |