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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…

Quantum Physics · Physics 2020-08-25 Suguru Endo , Iori Kurata , Yuya O. Nakagawa

Accurate computation of the Green's function is crucial for connecting experimental observations to the underlying quantum states. A major challenge in evaluating the Green's function in the time domain lies in the efficient simulation of…

Quantum Physics · Physics 2025-09-12 Lingyun Wan , Jie Liu , Jinlong Yang

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…

Quantum Physics · Physics 2022-05-04 Jie Zhu , Yuya O. Nakagawa , Chuan-Feng Li , Guang-Can Guo , Yong-Sheng Zhang

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…

We present a method to compute the many-body real-time Green's function using an adaptive variational quantum dynamics simulation approach. The real-time Green's function involves the time evolution of a quantum state with one additional…

Quantum Physics · Physics 2023-02-08 Niladri Gomes , David B. Williams-Young , Wibe A. de Jong

In this paper, we present a quantum computational method to calculate the many-body Green's function matrix in a spin orbital basis. We apply our approach to finite-sized fermionic Hubbard models and related impurity models within Dynamical…

Many-body Green's functions encode all the properties and excitations of interacting electrons. While these are challenging to be evaluated accurately on a classical computer, recent efforts have been directed towards finding quantum…

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 propose an improved quantum algorithm to calculate the Green's function through real-time propagation, and use it to compute the retarded Green's function for the 2-, 3- and 4-site Hubbard models. This novel protocol significantly…

Quantum Physics · Physics 2022-10-21 Francesco Libbi , Jacopo Rizzo , Francesco Tacchino , Nicola Marzari , Ivano Tavernelli

We present an algorithm to compute Green's functions on quantum computers for interacting electron systems, which is a challenging task on conventional computers. It uses a continued fraction representation based on the Lanczos method,…

Quantum Physics · Physics 2022-12-07 Francois Jamet , Abhishek Agarwal , Ivan Rungger

Implementing time evolution operators on quantum circuits is important for quantum simulation. However, the standard way, Trotterization, requires a huge numbers of gates to achieve desirable accuracy. Here, we propose a local variational…

Quantum Physics · Physics 2022-10-13 Kaoru Mizuta , Yuya O. Nakagawa , Kosuke Mitarai , Keisuke Fujii

We propose a scheme for the construction of one-particle Green's function (GF) of an interacting electronic system via statistical sampling on a quantum computer. Although the non-unitarity of creation and annihilation operators for the…

Quantum Physics · Physics 2020-02-19 Taichi Kosugi , Yu-ichiro Matsushita

We present and benchmark quantum computing approaches for calculating real-time single-particle Green's functions and nonlinear susceptibilities of Hamiltonian systems. The approaches leverage adaptive variational quantum algorithms for…

Quantum Physics · Physics 2025-11-17 Martin Mootz , Thomas Iadecola , Yong-Xin Yao

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

Many phenomena of strongly correlated materials are encapsulated in the Fermi-Hubbard model whose thermodynamical properties can be computed from its grand canonical potential according to standard procedures. In general, there is no closed…

Quantum Physics · Physics 2016-03-09 Pierre-Luc Dallaire-Demers , Frank K. Wilhelm

A numerical method is developed for calculating the real time Green's functions of very large sparse Hamiltonian matrices, which exploits the numerical solution of the inhomogeneous time-dependent Schroedinger equation. The method has a…

Computational Physics · Physics 2007-05-23 Toshiaki Iitaka

We introduce the Green's functions technique as an alternative theory to the quantum regression theorem formalism for calculating the two-time correlation functions in open quantum systems. In particular, we investigate the potential of…

Quantum Physics · Physics 2015-02-03 Edgar A. Gomez , J. D. Hernandez-Rivero , Herbert Vinck-Posada

We propose quantum algorithms for projective ground-state preparation and calculations of the many-body Green's functions directly in frequency domain. The algorithms are based on the linear combination of unitary (LCU) operations and…

Quantum Physics · Physics 2021-12-13 Trevor Keen , Eugene Dumitrescu , Yan Wang

Simulation of quantum many-body systems is a promising application of quantum computers. However, implementing the time-evolution operator as a quantum circuit efficiently on near-term devices with limited resources is challenging. Standard…

Simulating response properties of molecules is crucial for interpreting experimental spectroscopies and accelerating materials design. However, it remains a long-standing computational challenge for electronic structure methods on classical…

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