Search Results - "Eguiluz, AG"

Band-gap problem in semiconductors revisited: effects of core states and many-body self-consistency by Ku, Wei, Eguiluz, Adolfo G

“…A novel picture of the quasiparticle (QP) gap in prototype semiconductors Si and Ge emerges from an analysis based on all-electron, self-consistent, GW…”
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Electron-hole and plasmon excitations in 3d transition metals : Ab initio calculations and inelastic x-ray scattering measurements by GURTUBAY, I. G, PITARKE, J. M, WEI KU, EGUILUZ, A. G, LARSON, B. C, TISCHLER, J, ZSCHACK, P, FINKELSTEIN, K. D

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Self-Consistent Calculations of Quasiparticle States in Metals and Semiconductors by Schöne, Wolf-Dieter, Eguiluz, Adolfo G.

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Ab initio investigation of collective charge excitations in MgB2 by Ku, Wei, Pickett, W E, Scalettar, R T, Eguiluz, A G

“…A sharp collective charge excitation is predicted in MgB2 at approximately 2.5 eV for q perpendicular to the boron layers, based on an all-electron analysis of…”
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Plasmon Lifetime in K: A Case Study of Correlated Electrons in Solids Amenable to Ab Initio Theory by Ku, Wei, Eguiluz, Adolfo G.

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Large crystal local-field effects in the dynamical structure factor of rutile TiO2 by GURTUBAY, I. G, WEI KU, PITARKE, J. M, EGUILUZ, A. G, LARSON, B. C, TISCHLER, J, ZSCHACK, P

“…We present ab initio time-dependent density-functional calculations and nonresonant inelastic x-ray scattering measurements of the dynamical structure factor…”
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First-principles evaluation of dynamical response and plasmon dispersion in metals by QUONG, A. A, EGUILUZ, A. G

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Comment on "Why is the bandwidth of sodium observed to be narrower in photoemission Experiments?" by Ku, W, Eguiluz, AG, Plummer, EW

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First-principles evaluation of the surface barrier for a Kohn-Sham electron at a metal surface by EGUILUZ, A. G, HEINRICHSMEIER, M, FLESZAR, A, HANKE, W

“…The popular local-density approximation neglects long-range correlations which, in the presence of the rapid rate of change of the electron density at the…”
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Electron–hole excitations in NiO: LSDA+U-based calculations vs. inelastic X-ray scattering and ellipsometry measurements by Eguiluz, A.G., Restrepo, O.D., Larson, B.C., Tischler, J.Z., Zschack, P., Jellison, G.E.

“…The performance of the LSDA+U functional—in particular, the quality of the ground-state—is tested via calculations of the electron–hole excitations of NiO,…”
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Interplay between inelastic X-ray scattering and ab initio density-response calculations: Insight into the electronic correlations in aluminum by Tischler, J. Z., Larson, B. C., Zschack, P., Fleszar, A., Eguiluz, A. G.

“…Inelastic X‐ray scattering (IXS) measurements on Al have been analyzed in conjunction with ab initio, time‐dependent density functional theory (TDDFT)…”
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Dynamical response of correlated electrons in solids probed by inelastic scattering experiments: an ab initio theoretical perspective by Eguiluz, A.G., Ku, W., Sullivan, J.M.

“…We present results of ab initio theoretical investigations of the excitation spectra of correlated electrons in metals (Al, K, and Li) and their interplay with…”
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Band-Structure and Many-Body Effects in the Dynamical Response of Aluminum Metal by Fleszar, A, Quong, AA, Eguiluz, AG

“…For many years, efforts to explain a double peak observed in the dynamical structure factor S(q; omega ) of aluminum)an archetype of jellium electronic…”
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Effects of the crystal structure in the dynamical electron density-response of hcp transition metals by Gurtubay, I.G., Ku, Wei, Pitarke, J.M., Eguiluz, A.G.

“…We present an all-electron study of the dynamical density-response function of hexagonal close-packed transition metals Sc and Ti. We elucidate various aspects…”
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Inelastic X-Ray Scattering as a Probe of the Many-Body Local-Field Factor in Metals by Larson, BC, Tischler, JZ, Isaacs, ED, Zschack, P, Fleszar, A, Eguiluz, AG

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Linear response and quasiparticle calculations as probes of the Kohn-Sham eigenvalues in metals by Eguiluz, Adolfo G.

“…The Kohn‐Sham eigenvalues were formally introduced into density functional theory as Lagrange multipliers in the implementation of the minimum principle for…”
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Electronic excitations and correlation effects in metals by EGUILUZ, ADOLFO G., SCHONE, WOLF-DIETER

“…Theoretical descriptions of the spectrum of electronic excitations in real metals have not yet reached a fully predictive, 'first-principles' stage. In this…”
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Electronic stopping power of periodic crystals by Campillo, I, Pitarke, J.M, Eguiluz, A.G, Garcı́a, Alberto

“…The electronic stopping power suffered by ions penetrating periodic crystals is investigated within linear response theory. A full treatment of the dynamical…”
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Dynamical density response function of a metal film in the random-phase approximation by EGUILUZ, A. G

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Quasiparticle theory versus density-functional theory at a metal surface by DEISZ, J. J, EGUILUZ, A. G, HANKE, W

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