相关论文: A numerical method for calculating the Green's fun…
We present a fully grid-based approach for solving Hartree-Fock and all-electron Kohn-Sham equations based on low-rank approximation of three-dimensional electron orbitals. Due to the low-rank structure the total complexity of the algorithm…
We discuss the analytic and diagrammatic structure of ionization potential (IP) and electron affinity (EA) equation-of-motion coupled-cluster (EOM-CC) theory, in order to put it on equal footing with the prevalent $GW$ approximation. The…
In this paper, we propose and analyze some practical Newton methods for electronic structure calculations. We show the convergence and the local quadratic convergence rate for the Newton method when the Newton search directions are…
A method to calculate exact Green's functions on lattices in various dimensions is presented. Expressions in terms of generalized hypergeometric functions in one or more variables are obtained for various examples by relating the resolvent…
In this paper the transmittance through a quantum wire connected with two electron reservoirs is calculated and non-trivial transformation between the evolution operator method and the Green's function technique is reported. To show this…
An end-to-end strategy for hybrid quantum-classical computations of Green's functions in many-body systems is presented and applied to the pairing model. The scheme makes explicit use of the spectral representation of the Green's function,…
The three key elements of a quantum simulation are state preparation, time evolution, and measurement. While the complexity scaling of time evolution and measurements are well known, many state preparation methods are strongly…
A method based on separated integration to estimate anharmonic corrections to energy and vibration of molecules in a second-order diagrammatic vibrational many-body Green's function formalism has already been presented. A severe bottleneck…
We present a concise, but systematic, review of the ergodicity issue in strongly correlated systems. After giving a brief historical overview, we analyze the issue within the Green's function formalism by means of the equations of motion…
We propose a fast and versatile algorithm to calculate local and transport properties such as conductance, shot noise, local density of state or local currents in mesoscopic quantum systems. Within the non equilibrium Green function…
We calculate the coefficients in the chiral Lagrangian approximately from QCD based on a previous study of deriving the chiral Lagrangian from the first principles of QCD in which the chiral Lagrangian coefficients are defined in terms of…
In this paper, we summarize the technique of using Green functions to solve electrostatic problems. We start by deriving the electric potential in terms of a Green function and a charge distribution. We then provide a variety of example…
We propose a dynamical mean field approach for calculating the electronic structure of strongly correlated materials from first principles. The scheme combines the GW method with dynamical mean field theory, which enables one to treat…
A unified method of calculating structure functions from commutation relations of deformed single-mode oscillator algebras is presented. A natural approach to building coherent states associated to deformed algebras is then deduced.
We introduce a novel energy functional for ground-state electronic-structure calculations. Its fundamental variables are the natural spin-orbitals of the implied singlet many-body wave function and their joint occupation probabilities. The…
The hierarchy of Green functions for (quasi)degenerate systems, presented in cond-mat/0308058, is calculated in detail for the case of a system with closed shells plus a single electron in a two-fold degenerate level. The complete hierarchy…
The linked-cluster expansion technique for the high-temperature expansion of spin model is reviewed. A new algorithm for the computation of three-point and higher Green's functions is presented. Series are computed for all components of…
Gauge invariant quark two-point Green's functions defined with path-ordered gluon field phase factors along skew-polygonal lines joining the quark to the antiquark are considered. Functional relations between Green's functions with…
In this paper some new physical notations are given for the Green's functions and equations of motion (EOM) in many body physics with the concept of quasiparticles. It shows how the many body correlations existing in many body systems can…
The computation of electronic structure properties at the quantum level is a crucial aspect of modern physics research. However, conventional methods can be computationally demanding for larger, more complex systems. To address this issue,…