Search Results - (Author, Cooperation:P. Giannozzi)

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  1. 1
    K. Lejaeghere ; G. Bihlmayer ; T. Bjorkman ; P. Blaha ; S. Blugel ; V. Blum ; D. Caliste ; I. E. Castelli ; S. J. Clark ; A. Dal Corso ; S. de Gironcoli ; T. Deutsch ; J. K. Dewhurst ; I. Di Marco ; C. Draxl ; M. Dulak ; O. Eriksson ; J. A. Flores-Livas ; K. F. Garrity ; L. Genovese ; P. Giannozzi ; M. Giantomassi ; S. Goedecker ; X. Gonze ; O. Granas ; E. K. Gross ; A. Gulans ; F. Gygi ; D. R. Hamann ; P. J. Hasnip ; N. A. Holzwarth ; D. Iusan ; D. B. Jochym ; F. Jollet ; D. Jones ; G. Kresse ; K. Koepernik ; E. Kucukbenli ; Y. O. Kvashnin ; I. L. Locht ; S. Lubeck ; M. Marsman ; N. Marzari ; U. Nitzsche ; L. Nordstrom ; T. Ozaki ; L. Paulatto ; C. J. Pickard ; W. Poelmans ; M. I. Probert ; K. Refson ; M. Richter ; G. M. Rignanese ; S. Saha ; M. Scheffler ; M. Schlipf ; K. Schwarz ; S. Sharma ; F. Tavazza ; P. Thunstrom ; A. Tkatchenko ; M. Torrent ; D. Vanderbilt ; M. J. van Setten ; V. Van Speybroeck ; J. M. Wills ; J. R. Yates ; G. X. Zhang ; S. Cottenier
    American Association for the Advancement of Science (AAAS)
    Published 2016
    Staff View
    Publication Date:
    2016-03-26
    Publisher:
    American Association for the Advancement of Science (AAAS)
    Print ISSN:
    0036-8075
    Electronic ISSN:
    1095-9203
    Topics:
    Biology
    Chemistry and Pharmacology
    Computer Science
    Medicine
    Natural Sciences in General
    Physics
    Published by:
    http://www.aaas.org/

    Latest Papers from Table of Contents or Articles in Press
  2. 2
    Moullet, I. ; Andreoni, Wanda ; Giannozzi, P.

    College Park, Md. : American Institute of Physics (AIP)
    Published 1989
    Staff View
    ISSN:
    1089-7690
    Source:
    AIP Digital Archive
    Topics:
    Physics
    Chemistry and Pharmacology
    Notes:
    We present the results of several calculations of the ground state of Cs2 and Cs+2 performed in the local-spin-density approximation of density functional theory, and using different approximations for the core electrons in the derivation of ab initio norm-conserving pseudopotentials. We investigate the influence of both core polarization and relativistic effects on the molecular bonding, which turns out to be of minor importance for the determination of the equilibrium characteristics. We find that in order to guarantee an accurate description within the one-electron scheme, one must avoid the usual "linear'' approximation of the exchange-correlation functional in the derivation of the pseudopotentials. This introduces significant errors for Cs and most probably for all one-electron systems.
    Type of Medium:
    Electronic Resource
    URL:
    http://dx.doi.org/10.1063/1.456209

    Articles: DFG German National Licenses
  3. 3
    Pavesi, L. ; Houdré, R. ; Giannozzi, P.

    [S.l.] : American Institute of Physics (AIP)
    Published 1995
    Staff View
    ISSN:
    1089-7550
    Source:
    AIP Digital Archive
    Topics:
    Physics
    Notes:
    Photoluminescence and Raman measurements have been carried out as a function of In content (y) in relaxed and strained InyAl1−yAs alloys grown by molecular-beam epitaxy on InP. From the analysis of photoluminescence data near the lattice matched condition a reliable energy-gap dependence on In content for the strained material has been derived. From this the Bir–Pinkus electronic deformation potentials at the lattice matched condition have been determined. The Raman results for the relaxed material have been interpreted in the framework of the modified random element isodisplacement theory, yielding the localized Al mode in InAs, the gap In mode in AlAs, and quadratic dependences versus y for the different optical-phonon frequencies (AlAs-like and InAs-like). Optical-phonon deformation potentials have been calculated within ab initio theory for AlAs and successfully used to fit the AlAs-like phonon frequencies in strained InyAl1−yAs. Some problems have been found in interpreting the InAs-like strained phonon frequencies. © 1995 American Institute of Physics.
    Type of Medium:
    Electronic Resource
    URL:
    http://dx.doi.org/10.1063/1.360628

    Articles: DFG German National Licenses
  4. 4
    Giannozzi, P. ; Erdos, P.

    Amsterdam : Elsevier
    Staff View
    ISSN:
    0304-8853
    Source:
    Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics:
    Physics
    Type of Medium:
    Electronic Resource
    URL:
    http://linkinghub.elsevier.com/retrieve/pii/0304-8853(87)90722-0

    Articles: DFG German National Licenses
  5. 5
    Monachesi, P. ; Giannozzi, P. ; Acquarone, M.

    Amsterdam : Elsevier
    Staff View
    ISSN:
    0038-1098
    Source:
    Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics:
    Physics
    Type of Medium:
    Electronic Resource
    URL:
    http://linkinghub.elsevier.com/retrieve/pii/0038-1098(89)90385-2

    Articles: DFG German National Licenses
  6. 6
    Andreoni, W. ; Scharf, D. ; Giannozzi, P.

    Amsterdam : Elsevier
    Staff View
    ISSN:
    0009-2614
    Source:
    Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics:
    Chemistry and Pharmacology
    Physics
    Type of Medium:
    Electronic Resource
    URL:
    http://linkinghub.elsevier.com/retrieve/pii/0009-2614(90)87233-H

    Articles: DFG German National Licenses
  7. 7
    Pavesi, L. ; Giannozzi, P.

    Amsterdam : Elsevier
    Staff View
    ISSN:
    0921-4526
    Source:
    Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics:
    Physics
    Type of Medium:
    Electronic Resource
    URL:
    http://linkinghub.elsevier.com/retrieve/pii/0921-4526(91)90151-4

    Articles: DFG German National Licenses
  8. 8
    Staff View
    ISSN:
    0169-4332
    Source:
    Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics:
    Physics
    Type of Medium:
    Electronic Resource
    URL:
    http://linkinghub.elsevier.com/retrieve/pii/0169-4332(92)90310-T

    Articles: DFG German National Licenses