相关论文: Green's Function Formalism for Highly Correlated S…
We study the formation of subgap impurity states in strongly correlated Mott insulators. We use a composite operator method that gives us access to both the bulk Green's function, as well as to the real-space Green's function in the…
Coupled-cluster (CC) theory and Green's function many-body perturbation theory (MBPT) have long evolved as distinct yet complementary frameworks for describing electronic correlation. While CC methods employ exponential wavefunction…
Practical methods to compute dipole strengths for a three-body system by using a discretized continuum are analyzed. New techniques involving Green's function are developed, either by correcting the tail of the approximate wave function in…
We develop a model describing long-range atom-atom interactions in a two-dimensional periodic or a-periodic lattice of optical centers considering spectral and spatial broadening effects. Using both analytical and numerical Green's function…
The transport properties of junctions composed of a central region tunnel-coupled to external electrodes are frequently studied within the single-impurity Anderson model with Hubbard on-site interaction. In the present work, we supplement…
We formulate the calculation of the ground-state wavefunction and energy of a system of strongly correlated electrons in terms of scattering matrices. A hierarchy of approximations is introduced which results in an incremental expansion of…
We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix…
The Green's function has been an indispensable tool to study many-body systems that remain one of the biggest challenges in modern quantum physics for decades. The complicated calculation of Green's function impedes the research of…
We present a new, highly efficient yet accurate approximation for the Green's functions of dressed particles, using the Holstein polaron as an example. Instead of summing a subclass of diagrams (e.g. the non-crossed ones, in the…
Green's function theory has emerged as a powerful many-body approach not only in condensed matter physics but also in quantum chemistry in recent years. We have developed a new all-electron implementation of the BSE@GW formalism using…
Green's formulas for elliptic cone differential operators are established. This is done by an accurate description of the maximal domain of an elliptic cone differential operator and its formal adjoint, thereby utilizing the concept of a…
The steady-state electronic transport across periodically driven systems can be efficiently addressed using Landauer-B\"{u}ttiker formalism. The time-dependent nonequilibrium Green's function theory then may be adapted for developing direct…
If a quantum mechanical Hamiltonian has an infinite symmetric tridiagonal (Jacobi) matrix form in some discrete Hilbert-space basis representation, then its Green's operator can be constructed in terms of a continued fraction. As an…
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…
In this manuscript, we develop an efficient algorithm to evaluate the azimuthal Fourier components of the Green's function for the Helmholtz equation in cylindrical coordinates. A computationally efficient algorithm for this modal Green's…
Complex systems are composed of a large number of simple components connected to each other in the form of a network. It is shown that, for some network configurations, the equivalent dynamic behavior of the system is governed by an…
We propose a first-principles method of efficiently evaluating electron-transport properties of very long systems. Implementing the recursive Green's function method and the shifted conjugate gradient method in the transport simulator based…
A fully analytical approach based on the equation of motion technique to investigate the spectral properties and orbital occupations in an interacting double quantum dot in equilibrium is presented. By solving a linear system for the…
We present an improved version of commutator methods for unitary operators under a weak regularity condition. Once applied to a unitary operator, the method typically leads to the absence of singularly continuous spectrum and to the local…
Transport in molecular electronic devices is different from that in semiconductor mesoscopic devices in two important aspects: (1) the effect of the electronic structure and (2) the effect of the interface to the external contact. A…