Roger D. Amos

Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?

David J. Tozer, Roger D. Amos, Nicholas C. Handy et al. · Molecular Physics · 1999 · 563 citations

Localized Excited State, Engineering, Dft Valence +18

Geometric derivatives of excitation energies using SCF and DFT

Carole Van Caillie, Roger D. Amos · Chemical Physics Letters · 1999 · 393 citations

Localized Excited State, Engineering, Physics +7

Geometric derivatives of density functional theory excitation energies using gradient-corrected functionals

Carole Van Caillie, Roger D. Amos · Chemical Physics Letters · 2000 · 370 citations

Excited State Property, Localized Excited State, Physics +9

Density Functional Theory for Charge Transfer:  The Nature of the N-Bands of Porphyrins and Chlorophylls Revealed through CAM-B3LYP, CASPT2, and SAC-CI Calculations

Zheng-Li Cai, Maxwell J. Crossley, Jeffrey R. Reimers et al. · The Journal of Physical Chemistry B · 2006 · 364 citations

Sac-ci Calculations, Engineering, Charge Transfer +16

The application of CAM-B3LYP to the charge-transfer band problem of the zincbacteriochlorin–bacteriochlorin complex

Rika Kobayashi, Roger D. Amos · Chemical Physics Letters · 2006 · 289 citations

Organic Charge-transfer Compound, Charge-transfer Band Problem, Engineering +10