dorsal/arxiv
View SchemaComparision of direct and Fourier space techniques in time-dependent density functional theory
| Authors | G. F. Bertsch, Angel Rubio, K. Yabana |
|---|---|
| Categories | |
| ArXiv ID | physics/0003090 |
| URL | https://arxiv.org/abs/physics/0003090 |
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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"abstract": "Several techniques have appeared in the literatuare to solve the equations of\ntime-dependent density functional theory. We compare the efficiency of\ndifferent methods based on mesh representations of the wave function (direct\nand Fourier space), taking as a test case the calculation of the surface\nplasmon in the cluster Na_8. For smaller systems, the methods have comparable\nefficiency. For large systems the direct time method has a decided advantage in\ncomputer storage requirements. It is also more economical on arithmetic\noperations, but is not as suited for parallel computing as the methods based on\na frequency representation.",
"arxiv_id": "physics/0003090",
"authors": [
"G. F. Bertsch",
"Angel Rubio",
"K. Yabana"
],
"categories": [
"physics.comp-ph"
],
"title": "Comparision of direct and Fourier space techniques in time-dependent density functional theory",
"url": "https://arxiv.org/abs/physics/0003090"
},
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