• Title of article

    Improving quasiparticle second order electron propagator calculations with the spin-component-scaled technique

  • Author/Authors

    Romero، نويسنده , , Jonathan and Charry، نويسنده , , Jorge A. and Nakai، نويسنده , , Hiromi and Reyes، نويسنده , , Andres، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2014
  • Pages
    6
  • From page
    82
  • To page
    87
  • Abstract
    A simple modification of the quasiparticle second order electron propagator (EP2) method based on the spin-component-scaled technique is proposed. In this new approach, the second order contributions to the self-energy of same and opposite spins are scaled by empirical parameters. Comparison with EP2 and higher order approaches for different sets of molecules reveals that the cost-free spin-component-scaled technique reduces average errors of EP2 up to 51%, thereby increasing its reliability and applicability for the calculation of electron binding energies in molecular systems.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2014
  • Journal title
    Chemical Physics Letters
  • Record number

    1935957