One-Particle Properties of an Inhomogeneous Interacting Electron Gas

作者：L. J. Sham, Walter Kohn · 发表于：Physical Review · 年份：1966 · DOI：10.1103/physrev.145.561 · 被引用次数：1013 · 研究领域：Advanced Chemical Physics Studies、Molecular Junctions and Nanostructures、Advanced Physical and Chemical Molecular Interactions

In previous publications (especially by Hohenberg, Kohn, and Sham), a theory of the ground state of an inhomogeneous interacting electron gas was developed, in which the electronic density $n(\mathrm{r})$ played a dominant role. The present paper extends this approach to the one-particle Green's function and physical properties related to it, such as single-particle-like excitations and, in the case of metals, the Fermi surface. The Dyson mass operator $\ensuremath{\Sigma}$ is studied as a function of its spatial arguments and as a functional of $n(\mathrm{r})$, and, in both senses, it is found to have important short-range properties. An approximation for $\ensuremath{\Sigma}$, which is exact for systems of slowly varying density, is proposed. This leads to simple, explicit, Schr\"odinger-like equations for the single-particle-like excitations, whose solution determines their energies and lifetimes. In particular, we show how to apply this procedure to metals.