Many-Body Green's Function Theory for the Study of Excited States

作者：Ma Yuchen^*; Liu Chengbu

来源：Progress in Chemistry, 2012, 24(6): 981-1000.

• many-body Green's function theory
• GW method
• Bethe-Salpeter equation
• excited states

Many-body Green's function theory is a first-principle method used to investigate excited states, which is based on a set of Green's function equations. This theory includes GW method, which is used to calculate the properties of quasiparticles, and Bethe-Salpeter equation, which describes the motion of the electron-hole pair. GW method predicts orbital energies, band structures and quasiparticle lifetimes with high accuracy, while Bethe-Salpeter equation is a promising approach to study excitation energy, optical absorption spectrum and excited-state dynamics. Many-body Green's function theory uses self-energy operator to describe the exchange and correlation interactions among electrons and those between electron and hole. Here we give an overview of the fundamental concepts and principles of many-body Green's function theory, and a discussion on its applications in various materials.

• 出版日期2012-6-24
• 单位山东大学