Time-dependent density functional theory: Past, present, and future
Abstract
Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool for extracting electronic excited state energies. This article discusses how TDDFT is much broader in scope, and yields predictions for many more properties. We discuss some of the challenges involved in making accurate predictions for these properties.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- August 2005
- DOI:
- 10.1063/1.1904586
- arXiv:
- arXiv:cond-mat/0410362
- Bibcode:
- 2005JChPh.123f2206B
- Keywords:
-
- 31.15.Ew;
- 31.25.Jf;
- Density-functional theory;
- Electron correlation calculations for atoms and ions: excited states;
- Other;
- Materials Science
- E-Print:
- 12 pages, 4 figures