Calculating excited state properties using Kohn-Sham density functional theory
(2013)
Journal Article
Hanson-Heine, M. W., George, M. W., & Besley, N. A. (2013). Calculating excited state properties using Kohn-Sham density functional theory. Journal of Chemical Physics, 138(6), Article 064101. https://doi.org/10.1063/1.4789813
The accuracy of excited states calculated with Kohn-Sham density functional theory using the maximum overlap method has been assessed for the calculation of adiabatic excitation energies, excited state structures, and excited state harmonic and anhar... Read More about Calculating excited state properties using Kohn-Sham density functional theory.