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Comparision of direct and Fourier space techniques in time-dependent density functional theory

G. F. Bertsch·Angel Rubio·K. Yabana
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Abstract

Several techniques have appeared in the literatuare to solve the equations of time-dependent density functional theory. We compare the efficiency of different methods based on mesh representations of the wave function (direct and Fourier space), taking as a test case the calculation of the surface plasmon in the cluster Na_8. For smaller systems, the methods have comparable efficiency. For large systems the direct time method has a decided advantage in computer storage requirements. It is also more economical on arithmetic operations, but is not as suited for parallel computing as the methods based on a frequency representation.

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G. F. Bertsch, Angel Rubio, K. Yabana. 2000-04-11. Comparision of direct and Fourier space techniques in time-dependent density functional theory. https://arxiv.org/abs/physics/0003090

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