Abstract
We have developed a tight-binding model of hydrogen with a single s orbital on each atom that reproduces properties of the dimer, of various crystalline structures, and of the fluid. Molecular-dynamics simulations, performed in the density and temperature regime of recent experiments on shock-compressed liquid hydrogen, give pressures and electrical conductivities in general agreement with the measured values. We also demonstrate a close connection between the conductivity and dissociation of the molecules in the fluid.
- Received 10 December 1996
DOI:https://doi.org/10.1103/PhysRevB.55.R11907
©1997 American Physical Society