Time-dependent density functional theory: Past, present, and future
Rutgers, The State University of New Jersey · Freie Universität Berlin
Indexed inarxivcrossrefpubmed
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.
Citation impact
952
total citations
- FWCI
- 26.96
- Percentile
- 100%
- References
- 133
Citations per year
Authors
3Topics & keywords
Topics
Keywords
- Time-dependent density functional theory
- Popularity
- Density functional theory
- Scope (computer science)
- Excited state
- Computer science
- Data science
- Physics
UN Sustainable Development Goals
- Affordable and clean energy
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