7 files

Cyclohexadiene and Butatriene MCTDH/vMCG/TSH

posted on 2021-09-14, 11:45 authored by Graham WorthGraham Worth, Jaymee CoonjobeeharryJaymee Coonjobeeharry, Nadja Doslic, Cristina Sanz-Sanz, Kaite Spinlove, Marin Sapanur
The datasets contain the results from quantum dynamics simulations on cyclohexadiene and butatriene using both analytical potentials and direct dynamics. They were produced using the Quantics package and different methods : MCTDH, vMCG and TSH.