Welcome to the Subotnik Research Group

 
 

Research Focus:


Research in the Subotnik group focuses on the electronic processes in the condensed phase.  Using tools from electronic structure theory (with an emphasis on excited states), nonadiabatic dynamics, perturbation theory, and statistical mechanics, we seek a comprehensive theoretical and computational platform for studying electronic relaxation, electron and energy transfer, and multilinear spectroscopy.  See our research and publication pages for more information.

 
 

Representative Publications:


Landry and Subotnik. Standard Surface Hopping Predicts Incorrect Scaling for Marcus’ Golden-Rule Rate: The Decoherence Problem Cannot Be Ignored

J. Chem. Phys. Communication   135, 191101   (2011)   [PDF]     AccessJCP


Landry and Subotnik.   Quantifying the Lifetime of Triplet Energy Transfer Processes in Organic Chromophores: A Case Study of 4‑(2-Naphthylmethyl)benzaldehyde.

J. Chem. Theory. Comp., ASAP (2014)    [PDF]


Ou, Alguire, and Subotnik.  Derivative Couplings between Time-Dependent Density Functional Theory Excited States in the Random-Phase Approximation Based on Pseudo-Wavefunctions: Behavior around Conical Intersections.  J. Phys. Chem. B ASAP (2014)       [PDF]

 

NEW!  Penn Conference in Theoretical Chemistry (PCTC)


PCTC will be held at the University of Pennsylvania, July 29-31, 2014.  For the complete website, click here.