Related papers: Improvement of the simplification method for the l…
The two-particle vertex function is crucial for the diagrammatic extensions beyond DMFT for the nonlocal fluctuation. However, estimating the two-particle quantities is still a challenging task. In this study, we propose a simplification of…
We present an efficient and numerically stable algorithm for calculation of two-particle response functions within the dynamical mean-field theory. The technique is based on inferring the high frequency asymptotic behavior of the…
Electronic correlated systems are often well described by dynamical mean field theory (DMFT). While DMFT studies have mainly focused hitherto on one-particle properties, valuable information is also enclosed into local two-particle Green's…
In this work we present a multi-orbital form of the Two-Particle Self-Consistent approach (TPSC), here the effective local and static irreducible interaction vertices are determined by means of the Dynamical Mean-Field Theory (DMFT). This…
We investigate the influence of self-energy diagrams beyond the two-particle vertex level within dual fermion theory. Specifically, we calculate the local three-particle vertex and construct from it selected dual fermion self-energy…
We derive the equations for calculating the high-frequency asymptotics of the local two-particle vertex function for a multi-orbital impurity model. These relate the asymptotics for a general local interaction to equal-time two-particle…
In the study of correlated systems, approximations based on the dynamical mean-field theory (DMFT) provide a practical way to take local vertex corrections into account, which capture, respectively, particle-particle screening at weak…
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…
We derive an analytical expression for the local two-particle vertex of the Falicov-Kimball model, including its dependence on all three frequencies, the full vertex and all reducible vertices. This allows us to calculate the self energy in…
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…
The dynamical susceptibility of strongly correlated electronic systems can be calculated within the framework of the dynamical mean-field theory (DMFT). The required measurement of the four-point vertex of the auxiliary impurity model is…
Local n-particle vertex functions represent the crucial ingredient for all diagrammatic extensions of dynamical mean field theory (DMFT). Hitherto their application has been restricted -with a few exceptions- to the n=2-particle vertex…
Diagrammatic extensions of dynamical mean field theory (DMFT) such as the dynamical vertex approximation (D$\Gamma$A) allow us to include non-local correlations beyond DMFT on all length scales and proved their worth for model calculations.…
We apply a recently introduced hybridization-flow functional renormalization group scheme for Anderson-like impurity models as an impurity solver in a dynamical mean-field theory (DMFT) approach to lattice Hubbard models. We present how…
Large scale Density Functional Theory (DFT) based electronic structure calculations are highly time consuming and scale poorly with system size. While semi-empirical approximations to DFT result in a reduction in computational time versus…
We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…
Frequency estimation is a fundamental problem in many areas. The well-known A&M and its variant estimators have established an estimation framework by iteratively interpolating the discrete Fourier transform (DFT) coefficients. In general,…
Semi-local density functionals for the exchange-correlation energy of electrons are extensively used as it produce realistic and accurate results for finite and extended systems. The choice of techniques play crucial role in constructing…
We formulate the dual fermion approach to strongly correlated electronic systems in terms of the lattice and dual effective interactions, obtained by using the covariation splitting formula. This allows us to consider the effect of…
We showcase the advantages of orbital-free density-potential functional theory (DPFT), a more flexible variant of Hohenberg-Kohn density functional theory. DPFT resolves the usual trouble with the gradient-expanded kinetic energy functional…