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A real-space, rela-time method for the dielectric function

G. F. Bertsch·J. -I. Iwata·Angel Rubio·K. Yabana
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Abstract

We present an algorithm to calculate the linear response of periodic systems in the time-dependent density functional thoery, 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 the allows the entire frequency-dependent response to be calculated at once. We give as examples the dielectric functions of a simple metal, lithium, and an elemental insulator, diamond.

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G. F. Bertsch, J. -I. Iwata, Angel Rubio, K. Yabana. 2000-05-30. A real-space, rela-time method for the dielectric function. https://doi.org/10.1103/physrevb.62.7998

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