Time-dependent density functional theory: past, present, and future.
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.
Burke
Kieron
K
Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, USA.
Werschnik
Jan
J
Gross
E K U
EK