• Application of density-functional perturbation theory to calculate nonlinear polarizabilities of helium-like systems

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      https://www.ias.ac.in/article/fulltext/pram/049/05/0455-0460

    • Keywords

       

      Static polarizabilities; perturbation theory; density functional theory

    • Abstract

       

      Density-based perturbation theory within the Hohenberg-Kohn (HK) formalism of density functional theory (DFT), developed recently by us, is employed to calculate hyperpolarizabilities of helium-like ions from their ground-state densities obtained from their respective Hylleraas wavefunctions. The only approximation made is that of the local density (LDA) for exchange and correlation. Use of densities — instead of wavefunctions — in density-based perturbation theory together with simple approximate energy functionals makes our calculations much simpler than those based on wavefunctions. They lead, however, to accurate results.

    • Author Affiliations

       

      Arup Banerjee1 Manoj K Harbola1

      1. Laser Programme, Centre for Advanced Technology, Indore - 452 013, India
    • Dates

       
  • Pramana – Journal of Physics | News

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      Posted on July 25, 2019

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