Simulation studies of a model of high-density metallic hydrogen
1980; American Physical Society; Volume: 21; Issue: 6 Linguagem: Inglês
10.1103/physrevb.21.2641
ISSN1095-3795
AutoresK. K. Mon, G. V. Chester, N. W. Ashcroft,
Tópico(s)Advanced Chemical Physics Studies
ResumoUpper bounds for the ground-state energies of liquid and solid phases of metallic hydrogen and metallic deuterium have been calculated with variational methods and Monte Carlo techniques. At four densities (${r}_{s}=0.8,1.2,1.36,\mathrm{and} 1.488$) crystalline phases are clearly preferred in the sense that the energy difference, when compared to the liquid, is in excess of the errors inherent in the numerical procedures. At a fifth density ${r}_{s}=1.6$, the energy differences between solid and liquid phases are smaller than these errors.
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