Efficient description of strongly correlated electrons with mean-field cost

2014/01/31 by Katharina Bogusławski, Katharina Boguslawski, Paweł Tecmer +4 · 147 citations
Chemistry · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemistry #Dissociation (chemistry) #Electron #Electronic correlation #Hamiltonian (control theory) #Hubbard model #Mathematical optimization #Mathematics #Mean field theory #Physical chemistry #Physics #Quantum #Quantum mechanics #Quantum, superfluid, helium dynamics #Spectroscopy and Quantum Chemical Studies #Statistical physics #cond-mat.str-el #physics.chem-ph

paper · pdf · doi:10.1103/physrevb.89.201106

published in Physical Review B 89(20) (American Physical Society) · 4 pages, 4 figures

openalex publication_date 2014/05/12 · arxiv created 2014/08/02 · arxiv updated 2014/08/05 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/06

Abstract

We present an efficient approach to the electron correlation problem that is well suited for strongly interacting many-body systems, but requires only mean-field-like computational cost. The performance of our approach is illustrated for one-dimensional Hubbard rings with different numbers of sites, and for the nonrelativistic quantum-chemical Hamiltonian exploring the symmetric dissociation of the H₅₀ hydrogen chain.

Citations

• Generalized Gradient Approximation Made Simple
• Longitudinal static optical properties of hydrogen chains: Finite field extrapolations of matrix product state calculations
• The density-matrix renormalization group

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