Journal ArticleDOI
Exchange and correlation in the theory of simple metals
TLDR
In this article, a unified approach for including the effects of exchange and correlation in the theory of simple metals is presented, and it is shown that the indirect potential acting on a conduction electron can be described approximately by a function of the scattering momentum G(q), and this result follows directly from general theoretical results.Abstract:
A unified approach for including the effects of exchange and correlation in the theory of simple metals is presented. It is first demonstrated that the indirect potential acting on a conduction electron can be described approximately by a function of the scattering momentum G(q), and that this result follows directly from general theoretical results. Exchange and correlation corrections to the Hartree expressions for model (or pseudo) potential form factors and energy-wavenumber characteristics are derived and these corrections are shown to have a simple dependence on G(q). The selfconsistent theory of Singwi et al. (1968) is used to obtain a pair of transform relations between G(q) and the pair correlation function g(r) which permit G(q) to be calculated directly from g(r). The pair correlation function for a tenuous electron gas is used to compute a G(q) which is found to be selfconsistent. A simple approximate form of G(q), which is also selfconsistent, is suggested.read more
Citations
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Journal ArticleDOI
Evaporated Sn‐doped In2O3 films: Basic optical properties and applications to energy‐efficient windows
I. Hamberg,Claes-Göran Granqvist +1 more
TL;DR: In this paper, the authors reviewed work on In2O3:Sn films prepared by reactive e−beam evaporation of In2 O3 with up to 9 mol'% SnO2 onto heated glass.
Journal ArticleDOI
Explicit local exchange-correlation potentials
Lars Hedin,Bengt I. Lundqvist +1 more
TL;DR: In this article, the Hohenberg-Kohn-Sham local density theory is explored in view of recent advances in the theory of the interacting electron gas, and the authors discuss and provide numerical data for the effective exchange-correlation potentials mu xc for ground state problems and Vxc for excitation spectra.
Book ChapterDOI
The Fitting of Pseudopotentials to Experimental Data and Their Subsequent Application
Marvin L. Cohen,Volker Heine +1 more
TL;DR: In this paper, the authors summarized results from the theory of pseudopotentials that relate to choosing suitable mathematical forms for fitting and discussed where various approximations might be reasonably appropriate and where not.
Book ChapterDOI
Pseudopotential Theory of Cohesion and Structure
Volker Heine,D. Weaire +1 more
TL;DR: The pseudopotential theory of cohesion and structure of simple (sp-bonded) metals is discussed in this paper with an emphasis on the structure dependence of the total energy.
Journal ArticleDOI
Plasmons and magnetoplasmons in semiconductor heterostructures
TL;DR: In this article, the status of the theory and experiment which can contribute to our knowledge of plasmon excitations in synthetic semiconductor heterostructures is surveyed. But, beyond the presentation of the results achieved, there is a need to examine carefully the methodologies employed to obtain such results.
References
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Journal ArticleDOI
Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
Journal ArticleDOI
Inhomogeneous Electron Gas
P. C. Hohenberg,Walter Kohn +1 more
TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.
Journal ArticleDOI
Electron Correlations at Metallic Densities
TL;DR: In this paper, an improved expression of the dielectric function is given, which includes explicitly, in an approximate way, the short-range correlations arising from both Coulomb and exchange effects by being a functional of the structure factor.