108 citations · 165 across the 2 of their papers we have counts for
2 papers
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…
physics.chem-ph2012★ 108 cited
Origin-independent calculation of quadrupole intensities in X-ray spectroscopy
Stephan Bernadotte, Andrew J. Atkins, Christoph R. Jacob
For electronic excitations in the ultraviolet and visible range of the electromagnetic spectrum, the intensities are usually calculated within the dipole approximation, which assum…