A mathematical analysis of the GW0 method for computing electronic excited energies of molecules

Author:

Cancés Eric1,Gontier David1,Stoltz Gabriel1

Affiliation:

1. Université Paris-Est, CERMICS (ENPC) and INRIA, 6&8 Avenue Blaise Pascal, Cité Descartes, F-77455 Marne-la-Vallée, France

Abstract

This article is concerned with the GW method for finite electronic systems. In the first step, we provide a mathematical framework for the usual one-body operators that appear naturally in many-body perturbation theory. We then give a rigorous mathematical formulation of the [Formula: see text] equations, and study the well-posedness of these equations, proving the existence of a unique solution in a perturbative regime.

Publisher

World Scientific Pub Co Pte Lt

Subject

Mathematical Physics,Statistical and Nonlinear Physics

Cited by 6 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. A mathematical analysis of the adiabatic Dyson equation from time-dependent density functional theory;Nonlinearity;2024-04-15

2. Modified-operator method for the calculation of band diagrams of crystalline materials;Mathematics of Computation;2023-08-25

3. Scalable Molecular GW Calculations: Valence and Core Spectra;Journal of Chemical Theory and Computation;2021-12-02

4. GW100: A Slater-Type Orbital Perspective;Journal of Chemical Theory and Computation;2021-07-08

5. Low-Order Scaling G0W0 by Pair Atomic Density Fitting;Journal of Chemical Theory and Computation;2020-11-11

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3