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Green's function methods lead to ab initio, systematically improvable simulations of molecules and materials while providing access to multiple experimentally observable properties such as the density of states and the spectral function.…

Quantum Physics · Physics 2023-09-19 Diksha Dhawan , Dominika Zgid , Mario Motta

We describe how to apply the recursive Green's function method to the computation of electronic transport properties of graphene sheets and nanoribbons in the linear response regime. This method allows for an amenable inclusion of several…

Mesoscale and Nanoscale Physics · Physics 2013-06-18 Caio H. Lewenkopf , Eduardo R. Mucciolo

A new algorithm to compute the restricted singular value decomposition of dense matrices is presented. Like Zha's method \cite{Zha92}, the new algorithm uses an implicit Kogbetliantz iteration, but with four major innovations. The first…

Numerical Analysis · Mathematics 2020-02-13 Ian N. Zwaan

We are using the finite-gap approach for the construction of the Schr\"{o}dinger operator discretization on a quad graph. The latter is represented by a two-dimensional integer sublattice in a $d$-dimensional space. The Green's function of…

Mathematical Physics · Physics 2014-02-12 Vasilevskiy Boris

We have developed an approach to calculate the single-particle Green function of a one-dimensional many-body system in the strongly localized limit at zero temperature. Our approach, based on the locator expansion, sums the contributions of…

Mesoscale and Nanoscale Physics · Physics 2017-05-05 A. N. Somoza , M. Ortuño , V. Gasparian , M. Pino

In the framework of the hybrid quantum-classical variational cluster approach (VCA) to strongly correlated electron systems one of the goals of a quantum subroutine is to find single-particle correlation functions of lattice fermions in…

Quantum Physics · Physics 2025-06-26 Gino Bishop , Dmitry Bagrets , Frank K. Wilhelm

A generalized Landauer formula, derived with the methods due to Keldysh, and Baym and Kadanoff, is gaining widespread use in the modeling of transport in a large number of different mesoscopic systems. We review some of the recent…

Mesoscale and Nanoscale Physics · Physics 2017-08-23 Antti-Pekka Jauho

Learning the Green's function using deep learning models enables to solve different classes of partial differential equations. A practical limitation of using deep learning for the Green's function is the repeated computationally expensive…

Machine Learning · Computer Science 2023-08-02 Kishan Wimalawarne , Taiji Suzuki , Sophie Langer

A method for the computation of scattering data and of the Green function for the one-dimensional Schr\"{o}dinger operator $H:=-\frac{d^2}{dx^2}+q(x)$ with a decaying potential is presented. It is based on representations for the Jost…

Classical Analysis and ODEs · Mathematics 2019-10-02 Raúl Castillo-Pérez , Vladislav V. Kravchenko , Sergii M. Torba

In this paper, we present a numerical algorithm for the accurate and efficient computation of the convolution of the frequency domain layered media Green's function with a given density function. Instead of compressing the convolution…

Numerical Analysis · Mathematics 2020-06-16 Min Hyung Cho , Jingfang Huang

We derive semiclassical approximations for wavefunctions, Green's functions and expectation values for classically chaotic quantum systems. Our method consists of applying singular and regular perturbations to quantum Hamiltonians. The…

Chaotic Dynamics · Physics 2010-03-09 Martin Sieber

Basing on the relation between the Coulomb Green function and the Green function of harmonic oscillator, the algebraic representation of the many-particle Coulomb Green function in the form of annihilation and creation operators is…

Quantum Physics · Physics 2007-05-23 Nguyen Hoang Quoc , Nguyen Ngoc Ty , Le Van Hoang , Nguyen Khac Nhap

In this note, I would like to discuss an approach to the construction of Green's function on algebraic surfaces, indicated by Manin, towards the computation of the Green's function on surfaces using Schottky uniformization. We shall see…

Geometric Topology · Mathematics 2023-08-29 Ilyas Bayramov

Significant effort in applied quantum computing has been devoted to the problem of ground state energy estimation for molecules and materials. Yet, for many applications of practical value, additional properties of the ground state must be…

Quantum Physics · Physics 2022-07-13 Ruizhe Zhang , Guoming Wang , Peter Johnson

We develop a finite-element technique that allows one to evaluate correction of the order of $G_Q$ to various transport characteristics of arbitrary nanostructures. Common examples of such corrections are weak localization effect on…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 G. Campagnano , Yu. V. Nazarov

We propose a simple technique that, if combined with algorithms for computing functions of triangular matrices, can make them more efficient. Basically, such a technique consists in a specific scaling similarity transformation that reduces…

Numerical Analysis · Mathematics 2021-11-18 João R. Cardoso , Amir Sadeghi

The Green's function method has applications in several fields in Physics, from classical differential equations to quantum many-body problems. In the quantum context, Green's functions are correlation functions, from which it is possible…

Mesoscale and Nanoscale Physics · Physics 2016-10-14 Mariana M. Odashima , Beatriz G. Prado , E. Vernek

We present and review an efficient method to calculate the retarded Green's function in multi-terminal nanostructures; which is needed in order to calculate the conductance through the system and the local particle densities within it. The…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 G. Thorgilsson , G. Viktorsson , S. I. Erlingsson

A recently proposed analytical solution for the equations of motion of the one-body Green function of the double quantum dot is extended to the out-of-equilibrium situation. By solving a linear system for the density correlators, not only…

Mesoscale and Nanoscale Physics · Physics 2025-01-30 Nahual Sobrino , David Jacob , Stefan Kurth

We present a quantum-classical hybrid implementation of the Liouvillian recursion method to compute many-body Green's functions using a quantum computer. From an approximate ground state preparation circuit, this algorithm produces the…