activity
20162025
most citedA Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules

241 citations · 1.3k across the 13 of their papers we have counts for

collaborators
Showing 2017Show all

1 paper · 1 filter

physics.chem-ph2017★ 57 cited

Assessing Excited State Energy Gaps with Time-Dependent Density Functional Theory on Ru(II) Complexes

Andrew J. Atkins, Francesco Talotta, Leon Freitag +2

A set of density functionals coming from different rungs on Jacob's ladder are employed to evaluate the electronic excited states of three Ru(II) complexes. While most studies on t…