Dynamics: all states, all modes
收藏Figshare2019-05-20 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Dynamics_all_states_all_modes/8075864
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资源简介：
Input and output files of the dynamics using all states and all modes.PREP - general preparation filesPREP/LVC_full.template - LVC parameters usedPREP/ref_dyn.bash - script for generating diabatic initital conditionsEDC_Eph-plus - SHARC runsinput.new - SHARC input filepop3.out - Number of trajectories in each MCH state (multiplets summed up)pop9.out - Quantum amplitudes in MCH picture (multiplets summed up)pop13.out - Transform diagonal populations to MCH states (multiplets summed up) - classicalpop15.out - Transform diagonal populations to MCH states (multiplets summed up) - mixed quantum/classicalpop20.out - Quantum amplitudes in diabatic picture - quantumpop21.out - Quantum amplitudes in diabatic picture - classicalpop22.out - Quantum amplitudes in diabatic picture - mixed quantum/classical
创建时间：
2019-05-20
