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most citedA general method to describe intersystem crossing dynamics in trajectory surface hopping

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physics.chem-ph2013★ 79 cited

Excited-State Dynamics in SO2: II. The Role of Triplet States in the Bound State Relaxation Studied by Surface-Hopping Simulations

Sebastian Mai, Philipp Marquetand, Leticia Gonzalez

The importance of triplet states in the photorelaxation dynamics of SO2 is studied by mixed quantum-classical dynamics simulations. Using the Surface Hopping including ARbitrary Co…