Exact-Exchange Crystal Hartree-Fock Calculations of Molecular and Metallic Hydrogen and Their Transitions
- 31 March 1975
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 34 (13) , 812-814
- https://doi.org/10.1103/physrevlett.34.812
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.Keywords
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