Modeling hot, dense hydrogen with a classical spin dependent hamiltonian
Hot, dense hydrogen is studied with a classical model in which the interaction energy between atoms depends on their internal spins as well as their separation distance. The spins are treated as classical variables. This model is used in Monte Carlo simulations to calculate internal energies, pressures, and pair correlation functions, as well as the Hugoniot for shocked liquid deuterium. The results clearly show the transition of hot, dense hydrogen from a molecular to an atomic fluid. Our results are in reasonable agreement with far more elaborate quantum mechanical simulations.
Rescigno
TN
Physics Directorate, Lawrence Livermore National Laboratory, Livermore, California 94551, USA.