Finite temperature quantum embedding theories for correlated systems

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.

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Cited by in corpus (7)

• Direct comparison of many-body methods for realistic electronic Hamiltonians
• Dynamical Mean Field Theory, Density-Matrix Embedding Theory and Rotationally Invariant Slave Bosons: a Unified Perspective
• Testing self-energy embedding theory in combination with GW
• Solving the Bethe-Salpeter Equation on a Subspace: Approximations and Consequences for Low-dimensional Materials
• Interaction expansion inchworm Monte Carlo solver for lattice and impurity models
• Accelerating convergence to the thermodynamic limit with twist angle selection applied to methods beyond many-body perturbation theory
• Electronic specific heat capacities and entropies from density matrix quantum Monte Carlo using Gaussian process regression to find gradients of noisy data