Conserving quasiparticle calculations for small metal clusters |
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| Authors: | G. Pal Y. Pavlyukh H. C. Schneider W. Hübner |
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| Affiliation: | 1.Physics Department and Research Center OPTIMAS,Kaiserslautern University,Kaiserslautern,Germany |
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| Abstract: | A novel approach for GW-based calculations of quasiparticle properties for finite systems is presented, in which the screened interaction is obtained directly from a linear response calculation of the density-density correlation function. The conserving nature of our results is shown by explicit evaluation of the f-sum rule. As an application, energy renormalizations and level broadenings are calculated for the closed-shell Na9 + and Na21 + clusters, as well as for Na4. Pronounced improvements of conserving approximations to RPA-level results are obtained. |
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| Keywords: | KeywordHeading" >PACS 73.22.-f Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals 73.20.Mf Collective excitations (including excitons, polarons, plasmons and other charge-density excitations) 36.40.Gk Plasma and collective effects in clusters 71.45.Gm Exchange, correlation, dielectric and magnetic response functions, plasmons |
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