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arxiv: cond-mat/0005512 · v1 · submitted 2000-05-30 · ❄️ cond-mat

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

classification ❄️ cond-mat
keywords real-spacecalculatingdielectricfunctionsresponsealgorithmallowscalculate
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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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