Simulation of ultrafast photodynamics of pyrrole with a multiconfigurational Ehrenfest method
Abstract
We report the first results of ab initio multiconfigurational Ehrenfest simulations of
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School of Chemistry, University of Leeds, Leeds LS2 9JT, UK
E-mail:
K.Saita@leeds.ac.uk, M.G.Nix@leeds.ac.uk, D.Shalashilin@leeds.ac.uk
We report the first results of ab initio multiconfigurational Ehrenfest simulations of
K. Saita, M. G. D. Nix and D. V. Shalashilin, Phys. Chem. Chem. Phys., 2013, 15, 16227 DOI: 10.1039/C3CP51199E
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