Excitation energies in density functional theory: an evaluation and a diagnostic test.

By Michael J G Peach, P. Benfield, Trygve Helgaker, D. Tozer. Journal of Chemical Physics, 2008

1,253 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/bd84c71366f6d7132b9bcb16fa1ac898a92a2f45

Citations in the corpus

• Progress in time-dependent density-functional theory. (2011, neutral): “break down due to charge-transfer excitations (75).”