Related papers: Autoencoder-based analytic continuation method for…
Within the imaginary-time theory for nonequilibrium in quantum dot systems the calculation of dynamical quantities like Green's functions is possible via a suitable quantum Monte-Carlo algorithm. The challenging task is to analytically…
We present a new charge self-consistent scheme combining Density Functional and Dynamical Mean Field Theory, which uses Green's function of multiple scattering-type. In this implementation the many-body effects are incorporated into the…
A system of equations resulting from an approximation of the equation of motion of Green functions for correlated electron systems is usually solved using Matsubara technique. In this work we propose an alternative method which works…
The purpose of analytical continuation is to establish a real frequency spectral representation of single-particle or two-particle correlation function (such as Green's function, self-energy function, and dynamical susceptibilities) from…
We develop a novel analytic continuation method for self-energies on the Matsubara domain as computed by quantum Monte Carlo simulations within dynamical mean field theory (QMC+DMFT). Unlike a maximum entropy (maxEn) procedure employed for…
An expression is derived for angle-resolved photocurrent from a semi-infinite correlated system. Within the sudden approximation, the photocurrent is proportional to the spectral function of a one-particle two-time retarded Green's function…
Reconstructing spectral functions from Euclidean Green's functions is an important inverse problem in many-body physics. However, the inversion is proved to be ill-posed in the realistic systems with noisy Green's functions. In this Letter,…
Inspired by the recent proposed Legendre orthogonal polynomial representation of imaginary-time Green's functions, we develop an alternate representation for the Green's functions of quantum impurity models and combine it with the…
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…
We present a self-consistent approach for computing the correlated quasiparticle spectrum of charged excitations in iterative $\mathcal{O}[N^5]$ computational time. This is based on the auxiliary second-order Green's function approach [O.…
A novel scheme to solve the quantum eigenvalue problem through the imaginary-time Green function Monte Carlo method is presented. This method is applicable to the excited states as well as to the ground state of a generic system. We…
Physics-guided deep learning is an important prevalent research topic in scientific machine learning, which has tremendous potential in various complex applications including science and engineering. In these applications, data is expensive…
A review of electronic dynamics of single-impurity and many-impurity Anderson models is contained in this report. Those models are used widely for many of the applications in diverse fields of interest, such as surface physics, theory of…
We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesian probability theory, the entropy term has to be extended…
We critique a Pade analytic continuation method whereby a rational polynomial function is fit to a set of input points by means of a single matrix inversion. This procedure is accomplished to an extremely high accuracy using a novel…
We present an embedding scheme for periodic systems that facilitates the treatment of the physically important part (here the unit cell) with advanced electronic-structure methods, that are computationally too expensive for periodic…
Time-dependent quantum mechanics provides an intuitive picture of particle propagation in external fields. Semiclassical methods link the classical trajectories of particles with their quantum mechanical propagation. Many analytical results…
Information compression plays a central role in diverse fields of modern science and technology, from communication theory to machine learning. In condensed-matter physics, the intermediate representation (IR) basis has recently been…
The ill-posed analytic continuation problem for Green's functions or self-energies can be done using the Pad\'e rational polynomial approximation. However, to extract accurate results from this approximation, high precision input data of…
Solving the Anderson impurity model typically involves a two-step process, where one first calculates the ground state of the Hamiltonian, and then computes its dynamical properties to obtain the Green's function. Here we propose a hybrid…