Related papers: Efficient temperature-dependent Green's function m…
The standard particle-in-cell algorithm suffers from grid heating. There exists a gridless alternative which bypasses the deposition step and calculates each Fourier mode of the charge density directly from the particle positions. We show…
This paper presents a full-spectrum Green function methodology (which is valid, in particular, at and around Wood-anomaly frequencies) for evaluation of scattering by periodic arrays of cylinders of arbitrary cross section-with application…
We present an efficient implementation of a surface Green's-function method for atomistic modeling of surfaces within the framework of density functional theory using a pseudopotential localized basis set approach. In this method, the…
Predicting the evolution of spatiotemporal physical systems from sparse and scattered observational data poses a significant challenge in various scientific domains. Traditional methods rely on dense grid-structured data, limiting their…
In this work, we present a mesh-independent, data-driven library, chebgreen, to mathematically model one-dimensional systems, possessing an associated control parameter, and whose governing partial differential equation is unknown. The…
We present SCALINN -- Strongly Correlated Approach with Language Inspired Neural Network -- as a method for solving the Anderson impurity model and reducing the computational cost of dynamical mean-field theory calculations. Inspired by the…
The method of generating functional is generalized to the case of strongly correlated systems, and applied to the Hubbard model. For the electronic Green's function constructed for Hubbard operators, an equation using variational…
During the past half century, a major approximation was natural in the field of light-matter interaction: the point-dipole model. It was assumed that the wavelength is much larger than the size of the emitting atom or molecule, so that the…
This study introduces a systematic approach for analyzing strongly correlated systems by adapting the conventional quantum cluster method to a quantum circuit model. We have developed a more concise formula for calculating the cluster's…
Directional interpolation is a fast and efficient compression technique for high-frequency Helmholtz boundary integral equations, but it requires a very large amount of storage in its original form. Algebraic recompression can significantly…
Key to being able to accurately model the properties of realistic materials is being able to predict their properties in the thermodynamic limit. Nevertheless, because most many-body electronic structure methods scale as a high-order…
We present a complete prescription for the numerical calculation of surface Green's functions and self-energies of semi-infinite quasi-onedimensional systems. Our work extends the results of Sanvito et al. [1] generating a robust algorithm…
Periodic structures can be simulated using the periodic Method of Moments. The quasi-periodicity, i.e. periodicity within a linear phase-shift, is implemented through the use of the periodic Green's function. In this paper, we propose a…
Inspired by recent experimental findings, we investigate various scenarios of the doped Hubbard model with impurity potentials. We calculate the lattice Green's function in a finite-size cluster and then map it to the continuum real space,…
This paper introduces a fast algorithm, applicable throughout the electromagnetic spectrum, for the numerical solution of problems of scattering by periodic surfaces in two-dimensional space. The proposed algorithm remains highly accurate…
A double-tip scanning tunneling microscope with nanometer scale tip separation has the ability to access the single electron Green's function in real and momentum space based on second order tunneling processes. Experimental realization of…
We present an algorithm for the computation of unbiased Green functions and self-energies for quantum lattice models, free from systematic errors and valid in the thermodynamic limit. The method combines direct lattice simulations using the…
Our research highlights the effectiveness of utilizing matrices akin to Wishart matrices, derived from magnetization time series data under specific dynamics, to elucidate phase transitions and critical phenomena in the Q-state Potts model.…
The Fast Multipole Method (FMM) obeys periodic boundary conditions "natively" if it uses a periodic Green function for computing the multipole expansion in the interaction zone of each FMM oct-tree node. One can define the "optimal" Green…
We present here two novel algorithms for simulated tempering simulations, which break detailed balance condition (DBC) but satisfy the skewed detailed balance to ensure invariance of the target distribution. The irreversible methods we…