Code and Data: On the path integral electronic normal modes of the MMST representation of nonadiabatic dynamics
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Data and code for the paper: On the electronic normal modes of the Meyer-Miller-Stock-Thoss representation of nonadiabatic dynamicsIncludes data for 4 bead and 8 bead results for a symmetrical and asymmetrical potential matrix for:- C_11 correlation function- Boltzmann conservation C_I1 correlation function- Single trajectory results- Histogram for nuclear ring-polymer variable normal modes and normal modes of electronic position- Histograms for electronic total population, electronic state 1 population, radius of electronic state 1 population and normal modes of these- Histogram of total electronic population and state 1 population calculated from normal modes of MMST variablesCodes:- Code for correlation functions (ensemble and single trajectory) and input file- Code for nuclear histogram data creation- Code for electronic histogram data creation- Code for plotting correlation functions- Code for plotting histogramsPlots:-Includes plots from the paper and additional results in folder systemREADME - please read for further details
创建时间:
2025-10-29



