Related papers: Orthogonal Polynomial Representation of Imaginary-…
The Fast Multipole Method (FMM) is an efficient numerical algorithm for computation of long-ranged forces in $N$-body problems within gravitational and electrostatic fields. This method utilizes multipole expansions of the Green's function…
The decay properties of the one-particle Green function in real space and imaginary time are systematically studied for solids. I present an analytic solution for the homogeneous electron gas at finite and at zero temperature as well as…
The Green's functions for the Laplace equation respectively satisfying the Dirichlet and Neumann boundary conditions on the upper side of an infinite plane with a circular hole are introduced and constructed. These functions enables…
Closed expression for the Green's function of the stationary two-dimensional Schrodinger equation for an electron in group-VI dichalcogenides in the presence of a magnetic field is obtained in terms of the Whittaker functions. The resulting…
This paper presents a new methodology for the solution of problems of two- and three-dimensional acoustic scattering (and, in particular, two-dimensional electromagnetic scattering) by obstacles and defects in presence an arbitrary number…
We propose a novel scheme to bring reduced density matrix functional theory (RDMFT) into the realm of density functional theory (DFT) that preserves the accurate density functional description at equilibrium, while incorporating accurately…
The Green's function plays a crucial role when studying the nature of quantum many-body systems, especially strongly-correlated systems. Although the development of quantum computers in the near future may enable us to compute energy…
We develop a new type of orthogonal polynomial, the modified discrete Laguerre (MDL) polynomials, designed to accelerate the computation of bosonic Matsubara sums in statistical physics. The MDL polynomials lead to a rapidly convergent…
We present a new impurity solver for dynamical mean-field theory based on imaginary-time evolution of matrix product states. This converges the self-consistency loop on the imaginary-frequency axis and obtains real-frequency information in…
We introduce the unification of dynamical mean field theory (DMFT) and linear-scaling density functional theory (DFT), as recently implemented in ONETEP, a linear-scaling DFT package, and TOSCAM, a DMFT toolbox. This code can account for…
The convergence to the self-consistency in the dynamical-mean-field-theory (DMFT) calculations for models of correlated electron systems can be significantly accelerated by using an appropriate mixing of hybridization functions which are…
We show that the single-particle Green's functions used in many body theory have an elegant description in the form of hyperfunctions. We summarize the necessary hyperfunction concepts. We show that the analytical properties and the…
In this work we perform a Green's function analysis of giant-dipole systems. First we derive the Green's functions of different magnetically field-dressed systems, in particular of electronically highly excited atomic species in crossed…
Classical density functional theory (DFT) is a statistical mechanical theory for calculating the density profiles of the molecules in a liquid. It is widely used, for example. to calculate the density distribution of the molecules in the…
We present a method of memory footprint reduction for FFT-based, electromagnetic (EM) volume integral equation (VIE) formulations. The arising Green's function tensors have low multilinear rank, which allows Tucker decomposition to be…
We propose a mesh refinement technique for solving elliptic difference equations on unbounded domains based on the fast lattice Green's function (FLGF) method. The FLGF method exploits the regularity of the Cartesian mesh and uses the fast…
We develop a stochastic resolution of identity approach to the real-time second-order Green's function (real-time sRI-GF2) theory, extending our recent work for imaginary-time Matsubara Green's function {\em J. Chem. Phys.} {\bf 151},…
A Fourier-Matsubara series expansion is derived for imaginary-time correlation functions that constitutes the imaginary-time generalization of the infinite Matsubara series for equal-time correlation functions. The expansion is consistent…
The standard (``fine-grained'') interpretation of quantum density functional theory, in which densities are specified with infinitely-fine spatial resolution, is mathematically unruly. Here, a coarse-grained version of DFT, featuring…
We derive a discrete spectral representation of the single-particle self-energy using a discrete evaluation of Kugler's symmetric improved estimator. Our construction can be used on both the real and the complex (Matsubara) frequency axis.…