Electronic excitations and correlation effects in metals

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Theoretical descriptions of the spectrum of electronic excitations in real metals have not yet reached a fully predictive, first-principles stage. In this paper the authors begin by presenting brief highlights of recent progress made in the evaluation of dynamical electronic response in metals. A comparison between calculated and measured spectra--they use the loss spectra of Al and Cs as test cases--leads them to the conclusion that, even in weakly-correlated metals, correlation effects beyond mean-field theory play an important role. Furthermore, the effects of the underlying band structure turn out to be significant. Calculations which incorporate the effects of both dynamical ... continued below

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40 p.

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Eguiluz, A.G. & Schoene, W.D. July 1, 1997.

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Description

Theoretical descriptions of the spectrum of electronic excitations in real metals have not yet reached a fully predictive, first-principles stage. In this paper the authors begin by presenting brief highlights of recent progress made in the evaluation of dynamical electronic response in metals. A comparison between calculated and measured spectra--they use the loss spectra of Al and Cs as test cases--leads them to the conclusion that, even in weakly-correlated metals, correlation effects beyond mean-field theory play an important role. Furthermore, the effects of the underlying band structure turn out to be significant. Calculations which incorporate the effects of both dynamical correlations and band structure from first principles are not yet available. As a first step towards such goal, they outline a numerical algorithm for the self-consistent solution of the Dyson equation for the one-particle Green`s function. The self-energy is evaluated within the shielded-interaction approximation of Baym and Kadanoff. Their method, which is fully conserving, is a finite-temperature scheme which determines the Green`s function and the self-energy at the Matsubara frequencies on the imaginary axis. The analytical continuation to real frequencies is performed via Pade` approximant. They present results for the homogeneous electron gas which exemplify the importance of many-body self-consistency.

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40 p.

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OSTI as DE97008547

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  • Fifty years of the correlation problem, Cedar Key, FL (United States), 15-19 Jun 1997

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  • Other: DE97008547
  • Report No.: CONF-9706178--1
  • Grant Number: AC05-96OR22464
  • Office of Scientific & Technical Information Report Number: 634117
  • Archival Resource Key: ark:/67531/metadc695539

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  • July 1, 1997

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  • Aug. 14, 2015, 8:43 a.m.

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  • Aug. 23, 2016, 3:02 p.m.

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Eguiluz, A.G. & Schoene, W.D. Electronic excitations and correlation effects in metals, article, July 1, 1997; Tennessee. (digital.library.unt.edu/ark:/67531/metadc695539/: accessed August 18, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.