Abstract
Hartree-Fock calculations using the exact-exchange operator are reported for molecular and metallic solid hydrogen. Both calculations used the same basis set and the same crystal formalism. The calculations indicate a transition to the metallic phase at a pressure of 2.1 Mbar, in agreement with recent experiments.
- Received 17 September 1974
DOI:https://doi.org/10.1103/PhysRevLett.34.812
©1975 American Physical Society