A PrioriPrediction of the Cohesive Energy of One-Dimensional Metallic Hydrogen
- 29 April 1974
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 32 (17), 933-936
- https://doi.org/10.1103/physrevlett.32.933
Abstract
Ab initio wave functions and properties have been calculated for 14-, 26-, 38-, 50-, and 62-membered rings of hydrogen atoms. The properties converge rather quickly (with respect to the number of atoms in the ring) to those expected for one-dimensional metallic hydrogen. Electron correlation is explicitly considered by way of extensive configuration interaction. The cohesive energy is predicted to be 1.73 ± 0.2 eV per hydrogen atom.Keywords
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