Walter R. Duncan

Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics

Colleen F. Craig, Walter R. Duncan, Oleg V. Prezhdo · Physical Review Letters · 2005 · 785 citations

Quantum Dynamic, Trajectory Surface Hopping, Engineering +20

Theoretical Studies of Photoinduced Electron Transfer in Dye-Sensitized TiO₂

Walter R. Duncan, Oleg V. Prezhdo · Annual Review of Physical Chemistry · 2006 · 568 citations

Chromophore-tio2 Interface, Coupled System, Engineering +15

<i>Ab</i><i>I</i><i>nitio</i>Nonadiabatic Molecular Dynamics of the Ultrafast Electron Injection across the Alizarin−TiO₂Interface

Walter R. Duncan, William Stier, Oleg V. Prezhdo · Journal of the American Chemical Society · 2005 · 261 citations

Regarding the validity of the time-dependent Kohn–Sham approach for electron-nuclear dynamics via trajectory surface hopping

Sean A. Fischer, Bradley F. Habenicht, Angeline B. Madrid et al. · The Journal of Chemical Physics · 2011 · 214 citations

Trajectory Surface Hopping, Engineering, Nuclear Physics +20

Time-Domain <i>ab Initio</i> Study of Charge Relaxation and Recombination in Dye-Sensitized TiO₂

Walter R. Duncan, Colleen F. Craig, Oleg V. Prezhdo · Journal of the American Chemical Society · 2007 · 213 citations