Supporting Data for "First principles simulation of the collective rovibronic ground state in a cavity"

This repository contains the tabulated raw data underlying all figures presented in the paper “First-principles simulation of the collective rovibronic ground state in a cavity.” All figures can be fully reproduced from the raw data by running the Jupyter notebook plot.ipynb. In addition, the folder example-inputs provides representative input files for performing (ML-)MCTDH relaxation calculations. It includes both input (.inp) and operator (.op) files for ground-state simulations of five Shin-Metiu systems strongly coupled to a single cavity mode. For each theoretical approximation discussed in the paper (with or without the dipole self-energy (DSE), with or without rotational degrees of freedom, and various mean-field treatments) a corresponding pair of .inp and .op files is provided.