Abstract
We analyze in detail the electronic properties of high pressure hydrogen around the liquid-liquid phase transition based on Coupled Electron-Ion Monte Carlo calculations. Computing the off-diagonal single particle density matrix and the momentum distribution we discuss localization properties of the electrons. The abrupt changes of these distributions indicate a metal to insulator transition occurring together with the structural transition from the atomic to molecular fluid. We further discuss the electron-proton and electron-electron pair correlation functions, which also change abruptly at the transition.
Original language | English (US) |
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Article number | 012005 |
Journal | Journal of Physics: Conference Series |
Volume | 1136 |
Issue number | 1 |
DOIs | |
State | Published - Dec 24 2018 |
Event | 29th IUPAP Conference on Computational Physics, CCP 2017 - , France Duration: Jul 9 2017 → Jul 13 2017 |
ASJC Scopus subject areas
- General Physics and Astronomy