We released two open-source datasets named GDB-9-Ex and ORNL_AISD-Ex that provide calculations of electronic excitation energies and their associated oscillator strengths based on the time-dependent density-functional tight-binding (TD-DFTB) method.
Quantum Monte Carlo (QMC) methods are used to find the structure and electronic band gap of 2D GeSe, determining that the gap and its nature are highly tunable by strain.