Register
ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2010,Vol.26>> Issue(04)>> 1017-1033     doi: 10.3866/PKU.WHXB20100413         中文摘要
QUANTUM CHEMISTRY AND COMPUTATION CHEMISTRY
The GW Method: Basic Principles, Latest Developments and Its Applications for d-and f-Electron Systems
JIANG Hong
Beijing National Laboratory for Molecular Sciences, National Laboratory of Rare Earth Material Chemistry and Application, Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China
Download: PDF (1167KB) Export: BibTeX | EndNote (RIS)

The many-body perturbation theory based on the Green's function provides a rigorous conceptual framework to describe ground-state and excited-state properties of materials. The Green's function depends on the exchange-correlation self-energy, which is the solution of a set of complicated integro-differential equations, named Hedin's equations. The method, which approximates the self-energy by its first-order term in terms of the screened Coulomb interaction (W), is currently the most accurate first-principles approach to describe quasi-particle electronic band structure properties of extended systems. In this review, we first give an overview of the many-body perturbation theory for quasi-particle excitations based on the Green's function and screened Coulomb interaction. The latest methodological developments are reviewed with an attempt to put different newly proposed schemes in a unified framework. The current status of the method, in particular for d/f-electron systems, is illustrated by a few prototypical examples.



Keywords: Many-body perturbation theory   GW approximation   Quasi-particle electronic band structure   d/f-electron systems   Strongly correlated electron system  
Received: 2009-11-30 Accepted: 2010-01-19 Publication Date (Web): 2010-02-23
Corresponding Authors: JIANG Hong Email: h.jiang@pku.edu.cn


Cite this article: JIANG Hong. The GW Method: Basic Principles, Latest Developments and Its Applications for d-and f-Electron Systems[J]. Acta Phys. -Chim. Sin., 2010,26 (04): 1017-1033.    doi: 10.3866/PKU.WHXB20100413
Copyright © 2006-2016 Editorial office of Acta Physico-Chimica Sinica
Address: College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P.R.China
Service Tel: +8610-62751724 Fax: +8610-62756388 Email:whxb@pku.edu.cn
^ Top