3 research outputs found
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.Comment: 12 pages, 4 figure