Related papers: Distributional exact diagonalization formalism for…
We propose a method that incorporates explicit derivative discontinuity of the total energy with respect to the number of electrons and treats both delocalization and static correlation effects in density functional calculations. Our…
The single channel Anderson impurity model is a standard model for the description of magnetic impurities in metallic systems. Usually, the bandwidth represents the largest energy scale of the problem. In this paper, we analyze the limit of…
We use exact diagonalization to study the eigenstate thermalization hypothesis (ETH) in the quantum dimer model on the square and triangular lattices. Due to the nonergodicity of the local plaquette-flip dynamics, the Hilbert space, which…
We use the numerical renormalization group method to study an Anderson impurity in a conduction band with the density of states varying as rho(omega) \propto |omega|^r with r>0. We find two different fixed points: a local-moment fixed point…
The twofold degenerate Anderson impurity model [1-4] is investigated and the strong electronic correlations of d-electrons of impurity ion are taken into account by elaborating suitable diagram technique. We discuss the properties of the…
We develop a quantum filter diagonalization method (QFD) that lies somewhere between the variational quantum eigensolver (VQE) and the phase estimation algorithm (PEA) in terms of required quantum circuit resources and conceptual…
We implement the Lanczos algorithm on natural orbital basis to solve the zero-temperature Green's function of Anderson impurity models, following the work of Y. Lu, M. H\"{o}ppner, O. Gunnarsson, and M. W. Haverkort, Phys. Rev. B {\bf 90}…
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 energy density method is generalized to include spin polarization with the full formalism derived based on spin-density functional theory, which aims at decomposing the total energy into well-defined atomic energies. The method involves…
Classical density functional theory (DFT) provides an exact variational framework for determining the equilibrium properties of inhomogeneous fluids. We report a generalization of DFT to treat the non-equilibrium dynamics of classical…
Using both a resonant level model and the time-dependent Gutzwiller approximation, we study the power dissipation of a localized impurity hybridized with a conduction band when the hybridization is periodically switched on and off. The…
We propose an efficient dual boson scheme, which extends the DMFT paradigm to collective excitations in correlated systems. The theory is fully self-consistent both on the one- and on the two-particle level, thus describing the formation of…
In a recent experiment [X. Yu et al., arXiv:2602.07654], energy-resolved measurements of an atomic matter wave spreading in a speckle potential enabled the direct observation of the three-dimensional Anderson transition. In this work, we…
We develop a numerical method to compute the negativity, an entanglement measure for mixed states, between the impurity and the bath in quantum impurity systems at finite temperature. We construct a thermal density matrix by using the…
In this work we present a numerical method to solve the set of Dyson-like equations arising the context of non-equilibrium Green's functions. The technique is based on the self-consistent solution of the Dyson equations for the interacting…
We present clear numerical evidence for the coexistence of metallic and insulating dynamical mean field theory(DMFT) solutions in a half-filled single-band Hubbard model with bare semicircular density of states at finite temperatures.…
A theoretical analysis is given of the equation of motion method, due to Alben et al., to compute the eigenvalue distribution (density of states) of very large matrices. The salient feature of this method is that for matrices of the kind…
An acceleration of continuous time quantum Monte Carlo (CTQMC) methods is a potentially interesting branch of work as they are matchless as impurity solvers of a density functional theory in combination with a dynamical mean field theory…
The Anderson impurity model (AIM) is of fundamental importance in condensed matter physics to study strongly correlated effects. However, accurately solving its long-time dynamics still remains a great numerical challenge. An emergent and…
We present a new approach to calculate real-time quantum dynamics in complex systems. The formalism is based on the partitioning of a system's environment into "core" and "reservoir" modes, with the former to be treated quantum mechanically…