Real-space, real-time method for the dielectric function
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- 15 September 2000
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 62 (12) , 7998-8002
- https://doi.org/10.1103/physrevb.62.7998
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.Keywords
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