• Title of article

    Applications of the Liu–Parr–Nagy identity to the spin density calculations

  • Author/Authors

    Morihashi، نويسنده , , Kenji and Shimodo، نويسنده , , Yasuyo and Kikuchi، نويسنده , , Osamu، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2004
  • Pages
    7
  • From page
    462
  • To page
    468
  • Abstract
    The Liu–Parr–Nagy identity was applied to the DFT calculations of the spin densities for the NH radical with several exchange-correlation functional sets. The LPN spin density analyses give the important information to understand the differences of spin density values among the exchange-correlation functionals.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2004
  • Journal title
    Chemical Physics Letters
  • Record number

    1912991

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1912991