Related papers: Real-time Impurity Solver Using Grassmann Time-Evo…
Based on the Green's function (GF) equation-of-motion formalism, we develop a method to expand the double time Green's function into Taylor series of the parameter $\lambda$ in the Hamiltonian $H=H_0 + \lambda H_1$. Here $H_0$ is the…
Predicting the properties of strongly correlated materials is a significant challenge in condensed matter theory. The widely used dynamical mean-field theory faces difficulty in solving quantum impurity models numerically. Hybrid…
The coherent superposition of non-orthogonal fermionic Gaussian states has been shown to be an efficient approximation to the ground states of quantum impurity problems [Bravyi and Gosset,Comm. Math. Phys.,356 451 (2017)]. We present a…
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}…
A method for calculating the retarded Green's function for the gravitational wave equation in Friedmann-Roberson-Walker spacetimes, within the formalism of linearized Einstein gravity is developed. Hadamard's general solution to Cauchy's…
The Dynamical Mean Field Theory (DMFT) is a powerful tool for calculating highly correlated systems (both bosonic and fermionic) in a state of thermodynamic equilibrium. However, in the case of non-equilibrium states, the method has…
Path integral Monte Carlo with Green's function analysis allows the sampling of quantum mechanical properties of molecules at finite temperature. While a high-precision computation of the energy of the Born-Oppenheimer surface from path…
Green's function methods lead to ab initio, systematically improvable simulations of molecules and materials while providing access to multiple experimentally observable properties such as the density of states and the spectral function.…
We apply the Green's function coupled cluster singles and doubles (GFCCSD) impurity solver to realistic impurity problems arising for strongly correlated solids within the self-energy embedding theory (SEET) framework. We describe the…
Numerical methods capable of handling nonequilibrium impurity models are essential for the study of transport problems and the solution of the nonequilibrium dynamical mean field theory (DMFT) equations. In the strong correlation regime,…
We present an impurity solver based on adaptively truncated Hilbert spaces. The solver is particularly suitable for dynamical mean-field theory in circumstances where quantum Monte Carlo approaches are ineffective. It exploits the sparsity…
We extend the recently developed Quantum Quasi-Monte Carlo (QQMC) approach to obtain the full frequency dependence of Green functions in a single calculation. QQMC is a general approach for calculating high-order perturbative expansions in…
An efficient surface integral equation-based method is proposed for the analysis of electromagnetic scattering from multilayered media containing complex periodic inclusions. The proposed method defines equivalent currents at the interfaces…
We use a lattice Green function approach to study the stationary modes of a linear/nonlinear (Kerr) impurity embedded in a periodic one-dimensional lattice where we replace the standard discrete Laplacian by a fractional one. The energies…
We investigate the possibility to assist the numerically ill-posed calculation of spectral properties of interacting quantum systems in thermal equilibrium by extending the imaginary-time simulation to a finite Schwinger-Keldysh contour.…
The diagrammatic formalism and transport equation are conventionally considered as separate but complementary techniques to tackle the impurity scattering effect. To compare with the previous studies from the gauge-invariant kinetic…
Solving the single-impurity Anderson model (SIAM) is a basic problem of solid state physics. The SIAM model is very important, at present it is also used for systems with quantum impurities, e.g. semiconductor quantum dots and molecular…
Simulating the dynamics of quantum impurity models remains a fundamental challenge due to the complex memory effects that arise from system-environment interactions. Of particular interest are two-time correlation functions of an impurity,…
We provide a systematic approach to compute different kinds of non-equilibrium Green's functions for open quantum systems which are essentially two-point correlation functions in time. We reveal that the definition of Green's functions…
The numerical renormalization group (NRG) is tailored to describe interacting impurity models in equilibrium, but faces limitations for steady-state nonequilibrium, arising, e.g., due to an applied bias voltage. We show that these…