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A Brief Compendium of Time-Dependent Density Functional Theory

  • Condensed Matter
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Abstract

Time-dependent density functional theory (TDDFT) is a formally exact approach to the time-dependent electronic many-body problem which is widely used for calculating excitation energies. We present a survey of the fundamental framework, practical aspects, and applications of TDDFT. This paper is mainly intended for nonexperts (students or researchers in other areas) who would like to learn about the present state of TDDFT without going too deeply into formal details.

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Notes

  1. Strictly speaking, the wave function should penetrate a little bit into the barrier if the square-well has finite depth. We ignore this for simplicity and clarity of presentation.

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Acknowledgments

This paper is based in part on a 2-week course on excitations in materials, delivered in July 2012 at the Universidade Federal do ABC at Santo André, sponsored by the American Physical Society and the Sociedade Brasileira de Física. We also acknowledge support from NSF grant no. DMR-1005651. We thank Yonghui Li for preparing Figs. 7 and 8.

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    Carsten A. Ullrich & Zeng-hui Yang

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Ullrich, C.A., Yang, Zh. A Brief Compendium of Time-Dependent Density Functional Theory. Braz J Phys 44, 154–188 (2014). https://doi.org/10.1007/s13538-013-0141-2

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