CASINO input and output files for "Diffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides

This data repository contains our raw data for the energies and pair distribution functions of excitonic complexes in 2D semiconductors. In particular it contains the input and output files for our quantum Monte Carlo calculations using the CASINO code. In particular there are data sets for: 1. Biexcitons, with and without indistinguishable particles, (XX_QMC_data.tar.bz2); 2. Donor-bound excitons (DplusX_QMC_data.tar.bz2); 3. Donor-bound trions (D0X_QMC_data.tar.bz2); 4. Donor-bound biexcitons (DplusXX_QMC_data.tar.bz2); and 5. Quintons, donor-bound quintons, etc. (quinton_etc_QMC_data.tar.bz2). Embargo on the dataset: None * Project this dataset belongs to: Internal project * Publication this dataset relates to: No publication yet