Related papers: Simplification of the local full vertex in the imp…
We consider the thermodynamic consistency of the charge response function in the (extended) Hubbard model. In DMFT, thermodynamic consistency is preserved. We prove that the static, homogeneous DMFT susceptibility is consistent as long as…
We give the first $2$-approximation algorithm for the cluster vertex deletion problem. This is tight, since approximating the problem within any constant factor smaller than $2$ is UGC-hard. Our algorithm combines the previous approaches,…
We propose a novel scheme to bring reduced density matrix functional theory (RDMFT) into the realm of density functional theory (DFT) that preserves the accurate density functional description at equilibrium, while incorporating accurately…
We present a formalism for strongly correlated systems with fermions coupled to bosonic modes. We construct the three-particle irreducible functional $\mathcal{K}$ by successive Legendre transformations of the free energy of the system. We…
Orbital-free density functional theory (OF-DFT) runs at low computational cost that scales linearly with the number of simulated atoms, making it suitable for large-scale material simulations. It is generally considered that OF-DFT strictly…
A new single-time two-point closure is proposed, in which the equation for the two-point correlation between the displacement of a fluid particle and the velocity allows one to estimate a Lagrangian timescale. This timescale is used to…
In this paper, we show how the two-particle Green function (2PGF) can be obtained within the framework of the Dual Fermion approach. This facilitates the calculation of the susceptibility in strongly correlated systems where long-ranged…
We present here two alternative schemes designed to correct the high-frequency truncation errors in the numerical treatment of the Bethe-Salpeter equations. The schemes are applicable to all Bethe-Salpeter calculations with a local…
Site density functional theory (SDFT) provides a rigorous framework for statistical mechanics analysis of inhomogeneous molecular liquids. The key defining feature of these systems is the presence of two very distinct interactions scales…
The standard definition of particle number fluctuations based on point-like particles neglects the excluded volume effect. This leads to a large and systematic finite-size scaling and an unphysical surface term in the isothermal…
We study the subgap spectrum of a 2D Abrikosov vortex in an s-wave superconductor in the absence and presence of a point impurity. By solving the Eilenberger equations without impurity for two models of the vortex (including a…
We investigate the divergences appearing in the two-particle irreducible vertex functions of many-fermion systems with attractive on-site interactions. By means of dynamical mean-field theory calculations, we determine the location of…
The main contribution of this paper is the formulation of a diffuse approximation method(DAM), for two-dimensional channel flows. The proposed method is based on the vorticity-streamfunction formulation. The DAM which estimates derivates of…
We study the expansion of single-particle and two-particle imaginary-time Matsubara Green's functions of quantum impurity models in the basis of Legendre orthogonal polynomials. We discuss various applications within the dynamical…
The fundamental gap of an interacting many-electron system is given by the sum of the single-particle Kohn-Sham gap and the derivative discontinuity. The latter can be generated by advanced approximations to the exchange-correlation (XC)…
Ideal density-functional approximations (DFAs) should account for dynamic, static, and nondynamic correlation. While common DFAs struggle with the latter two, the Ziegler-Rauk-Baerends-Daul multiplet sum method (MSM) provides a pragmatic…
Extended dynamical mean-field theory (EDMFT) is insufficient to describe non-local effects in strongly correlated systems, since corrections to the mean-field solution are generally large. We present an efficient scheme for the construction…
We study the local disorder in the deformation of amorphous materials by decomposing the particle displacements into a continuous, inhomogeneous field and the corresponding fluctuations. We compare these fields to the commonly used…
For reliable and efficient inclusion of electron-electron correlation effects in nanosystems we propose a combined density-functional-theory/nonhomogeneous dynamical-mean-field-theory (DFT + DMFT) approach which employs an approximate…
We propose efficient measurement procedures for the self-energy and vertex function of the Anderson impurity model within the hybridization expansion continuous-time quantum Monte Carlo algorithm. The method is based on the measurement of…