@article{932,
  author = {Vitaly Gorelov and Markus Holzmann and David Ceperley and Carlo Pierleoni},
  title = {Electronic excitation spectra of molecular hydrogen in phase I from quantum Monte Carlo and many-body perturbation methods},
  abstract = {We study the electronic excitation spectra in solid molecular hydrogen (phase I) at ambient temperature and 5- to 90-GPa pressures using quantum Monte Carlo methods and many-body perturbation theory. In this range, the system changes from a wide-gap molecular insulator to a semiconductor, altering the nature of the excitations from localized to delocalized. Computed gaps and spectra agree with experiments, proving the ability to predict accurately band gaps of many-body systems in the presence of nuclear quantum and thermal effects.},
  year = {2024},
  journal = {Physical Review B},
  volume = {109},
  number = {24},
  issn = {24699969},
  doi = {10.1103/PhysRevB.109.L241111},
}