Downfolded Self-Energy of Many-Electron Systems

Abstract

Starting from the full many-body Hamiltonian of interacting electrons the effective self-energy acting on electrons residing in a subspace of the full Hilbert space is derived. This subspace may correspond to, for example, partially filled narrow bands, which often characterize strongly correlated materials. The formalism delivers naturally the frequency-dependent effective interaction (the Hubbard U) and provides a general framework for constructing theoretical models based on the Green function language. It also furnishes a general scheme for first-principles calculations of complex systems in which the main correlation effects are concentrated on a small subspace of the full Hilbert space.

5 pages

References in corpus (6)

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• Ab initio effective Hamiltonians for cuprate superconductors
• Many-body effects in iron pnictides and chalcogenides -- non-local vs dynamic origin of effective masses
• Asymmetric band widening by screened exchange competing with local correlations in SrVO3: new surprises on an old compound from combined GW and dynamical mean field theory GW+DMFT
• Thermoelectricity in correlated narrow-gap semiconductors
• Method for calculating the electronic structure of correlated materials from a truly first-principles LDA+U scheme
• Effective Hamiltonian for cuprate superconductors derived from multi-scale ab initio scheme with level renormalization
• Derivation of Static Low-Energy Effective Models by ab initio Downfolding Method without Double Counting of Coulomb Correlations: Application to SrVO3, FeSe and FeTe
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• First-principles Studies of Strongly Correlated States in Defect Spin Qubits in Diamond
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• Low-energy effective Hamiltonians for correlated electron systems beyond density functional theory
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• Model Hamiltonian for strongly-correlated systems: Systematic, self-consistent, and unique construction
• Position Representation of Effective Electron-Electron Interactions in Solids