Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane

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• who: Comparing (stochastic-selection) ab et al. from the Department of Chemistry, Durham University, South Road, Durham , LE, United Kingdom have published the research work: Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane, in the Journal: (JOURNAL)
• what: The authors use the photodynamics of three different molecules-cyclopropanone fulvene and 1 2-dithiane-to investigate (i) the potential of SSAIMS to reproduce reference AIMS results for challenging nonadiabatic dynamics (ii) the compromise achieved by SSAIMS in obtaining accurate results while using the smallest average . . .
  

   

  

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