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

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

2000-05-30

arxiv.org/abs/cond-mat/0005512v1

Phys.Rev.B62:7998-8002,2000

Physics

Condensed Matter

17 pages, Latex, 5 figures

Scientific paper

10.1103/PhysRevB.62.7998

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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