Real-space, real-time method for the dielectric function

G. F. Bertsch, J.-I. Iwata, Angel Rubio, and K. Yabana
Phys. Rev. B 62, 7998 – Published 15 September 2000
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Abstract

We present an algorithm to calculate the linear response of periodic systems in the time-dependent density functional theory, using a real-space representation of the electron wave functions and calculating the dynamics in real time. The real-space formulation increases the efficiency for calculating the interaction, and the real-time treatment decreases storage requirements and allows the entire frequency-dependent dielectric function to be calculated at once. We give as examples the dielectric functions of a simple metal, lithium, and an elemental insulator, diamond.

  • Received 8 June 2000

DOI:https://doi.org/10.1103/PhysRevB.62.7998

©2000 American Physical Society

Authors & Affiliations

G. F. Bertsch1,*, J.-I. Iwata2, Angel Rubio3,†, and K. Yabana2,‡

  • 1Department of Physics and National Institute for Nuclear Theory, University of Washington, Seattle, Washington 98195
  • 2Institute of Physics, University of Tsukuba, Tsukuba 305-8571, Japan
  • 3Departamento de Física Teórica, Universidad de Valladolid, Valladolid and Donostia International Physics Center, San Sebastian, Spain

  • *Email address: bertsch@phys.washington.edu
  • Email address: arubio@mileto.fam.cie.uva.es
  • Email address: yabana@nucl.ph.tsukuba.ac.jp

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Issue

Vol. 62, Iss. 12 — 15 September 2000

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