Influence of Triplet Instabilities in TDDFT
(2011)
Journal Article
Peach, M., Williamson, M., & Tozer, D. (2011). Influence of Triplet Instabilities in TDDFT. Journal of Chemical Theory and Computation, 7(11), 3578-3585. https://doi.org/10.1021/ct200651r
Singlet and triplet vertical excitation energies from time-dependent density functional theory (TDDFT) can be affected in different ways by the inclusion of exact exchange in hybrid or Coulomb-attenuated/range-separated exchange–correlation functiona... Read More about Influence of Triplet Instabilities in TDDFT.