Cyclohexadiene and Butatriene MCTDH/vMCG/TSH

The datasets contain the results from quantum dynamics simulations on cyclohexadiene and butatriene using both analytical potentials and direct dynamics. They were produced...本数据集包含针对环己二烯（cyclohexadiene）与丁三烯（butatriene）开展的量子动力学模拟结果，模拟过程同时采用了解析势能面与直接动力学两种方法。该数据集由……