Publications containing SHARC

Important methodological publications on the SHARC surface hopping approach: M. Richter, P. Marquetand, J. González-Vázquez, I. Sola, L. González SHARC – ab initio molecular dynamics with surface hopping in the adiabatic representation including arbitrary couplings J. Chem. Theory Comput. 7, 1253-1258, (2011). S. Mai, P. Marquetand, L. González A General Method to Describe Intersystem Crossing … Continue reading Publications containing SHARC