Finite-temperature Gutzwiller approximation from the time-dependent variational principle

2015/05/08 by Nicola Lanatà, Xiaoyu Deng, Gabriel Kotliar · 2 citations
Computer Science · Physics and Astronomy · #Advanced Mathematical Modeling in Engineering #Mathematical physics #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Statistical physics #Theoretical and Computational Physics #Variational principle #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.92.081108

published as Phys. Rev. B (Rapid Communication) 92, 081108 (2015) · 5 pages, 2 figures

arxiv created 2015/05/08 · openalex publication_date 2015/08/11 · arxiv updated 2017/02/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

We develop an extension of the Gutzwiller approximation to finite temperatures based on the Dirac-Frenkel variational principle. Our method does not rely on any entropy inequality, and is substantially more accurate than the approaches proposed in previous works. We apply our theory to the single-band Hubbard model at different fillings, and show that our results compare quantitatively well with dynamical mean field theory in the metallic phase. We discuss potential applications of our technique within the framework of first-principle calculations.

Citations

• Gutzwiller Density Functional Studies of FeAs-Based Superconductors: Structure Optimization and Evidence for a Three-Dimensional Fermi Surface
• Gutzwiller description of non-magnetic Mott insulators: Dimer lattice model
• Finite-temperature Gutzwiller approximation and the phase diagram of a toy model for V<mml:mrow/>2O<mml:mrow/>3
• Note on Exchange Phenomena in the Thomas Atom

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