Finite temperature quantum embedding theories for correlated systems

DOI10.1088/1367-2630/AA5D34MaRDI QIDQ6100517zbMATH OpenWikidataFDO

Authors Emanuel Gull

Publication date 12 May 2023

Published in New Journal of Physics (Search for Journal in Brave)

Copyright license Creative Commons Attribution 3.0 Unported

Full work available at URL https://arxiv.org/abs/1611.00395

Mathematics Subject Classification ID

Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Renormalization group methods in equilibrium statistical mechanics (82B28) Statistical mechanics of solids (82D20) Path integrals in quantum mechanics (81S40) Quantum equilibrium statistical mechanics (general) (82B10)

Abstract: The cost of the exact solution of the many-electron problem is believed to be exponential in the number of degrees of freedom, necessitating approximations that are controlled and accurate but numerically tractable. In this paper, we show that one of these approximations, the self-energy embedding theory (SEET), is derivable from a universal functional and therefore implicitly satisfies conservation laws and thermodynamic consistency. We also show how other approximations, such as the dynamical mean field theory (DMFT) and its combinations with many-body perturbation theory, can be understood as a special case of SEET and discuss how the additional freedom present in SEET can be used to obtain systematic convergence of results.

Recommendations

• Variational Embedding for Quantum Many‐Body Problems
• Projection-based embedding theory for solving Kohn-Sham density functional theory
• An Exposition of the Connection between Limit-Periodic Potentials and Profinite Groups
• Density functional theory at finite temperatures
• Chapter 12: On the principal difference between the exact and approximate frozen-density embedding theory

Cites work

• Conservation Laws and Correlation Functions
• Dual boson approach to collective excitations in correlated fermionic systems
• Ground-State Energy of a Many-Fermion System. II
• Self-Consistent Approximations in Many-Body Systems

Cited in

(8)

• \texttt{TRIQS/Nevanlinna}: implementation of the Nevanlinna analytic continuation method for noise-free data
• Finite temperature quantum condensations in the space of states: general proof
• scientific article; zbMATH DE number 1834115 (Why is no real title available?)
• Cutting rules and positivity in finite temperature many-body theory
• Projection-based embedding theory for solving Kohn-Sham density functional theory
• \texttt{Green/WeakCoupling}: implementation of fully self-consistent finite-temperature many-body perturbation theory for molecules and solids
• A CORRELATION ESTIMATE FOR QUANTUM MANY-BODY SYSTEMS AT POSITIVE TEMPERATURE
• Chapter 12: On the principal difference between the exact and approximate frozen-density embedding theory

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