We perform large scale Quantum Monte Carlo simulations on dense liquid hydrogen system, namely employing long and equilibrated Molecular Dynamics simulations, using a large number of atoms, on a wide range of temperatures and pressures. We find that the transition from a molecular fluids towards a fully dissociated one appears at higher pressures than previously believed, as we observe that a liquid with mixed atomic-paired character is stable over a wide range of pressures. The connection of this dissociative transition with the insulator to metal transition is also discussed and extensive tests on the accuracy of the method are reported.
|Autori interni:||Mazzola, Guglielmo|
|Titolo:||Metallization and dissociation in high pressure liquid hydrogen by an efficient molecular dynamics with quantum Monte Carlo|
|Data di pubblicazione:||31-ott-2014|
|Appare nelle tipologie:||8.1 PhD thesis|