• DocumentCode
    3671315
  • Title

    Calculation of elongated carbon structures with Density Functional Theory and fast Poisson solver

  • Author

    M. Zuzovski;A. Boag;G. Slepyan;P. Poullet;A. Natan

  • Author_Institution
    Department of Physical Electronics, Tel-Aviv University, 69978, Israel
  • fYear
    2015
  • Firstpage
    903
  • Lastpage
    906
  • Abstract
    The solution of the Poisson equation is an essential stage in the calculation of quantum properties of materials as it appears both in the electrostatic Hartree term and in the Fock exchange operator. We discuss here an integral method for the calculation of Poisson potential and demonstrate its integration with a Density Functional Theory (DFT) code. We show some results on elongated carbon chains.
  • Keywords
    "Electric potential","Poisson equations","Carbon","Density functional theory","Mathematical model","Electrostatics","Integral equations"
  • Publisher
    ieee
  • Conference_Titel
    Electromagnetics in Advanced Applications (ICEAA), 2015 International Conference on
  • Type

    conf

  • DOI
    10.1109/ICEAA.2015.7297245
  • Filename
    7297245
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=3671315