Real-Space, Real-Time Method for the Dielectric Function
Physical Review B 62, 7998 - 8002 (2000)
Real-Space, Real-Time Method for the Dielectric Function
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.
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- http://dx.doi.org/10.1103/PhysRevB.62.7998