10 pages, 6 figures, prepared for the proceedings of CCP2017We 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
We report recent progress in the Coupled Electron-Ion Monte Carlo method and its application to high...
Liquid-liquid phase transition of hydrogen is at the center of hydrogen phase diagram as a promising...
The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about...
10 pages, 6 figures, prepared for the proceedings of CCP2017We analyze in detail the electronic prop...
10 pages, 6 figures, prepared for the proceedings of CCP2017We analyze in detail the electronic prop...
10 pages, 6 figures, prepared for the proceedings of CCP2017We analyze in detail the electronic prop...
10 pages, 6 figures, prepared for the proceedings of CCP2017We analyze in detail the electronic prop...
The phase diagram of high-pressure hydrogen is of great interest for fundamental research, planetary...
Using Quantum Monte Carlo (QMC) calculations, we investigate the insulator-metal transition observed...
International audienceUsing Quantum Monte Carlo (QMC) calculations, we investigate the insulator-met...
International audienceUsing Quantum Monte Carlo (QMC) calculations, we investigate the insulator-met...
Variational and Diffusion Monte Carlo are powerful computational methods which can afford accurate e...
Variational and Diffusion Monte Carlo are powerful computational methods which can afford accurate e...
The metallization of high-pressure hydrogen, together with the associated molecular to atomic transi...
We report recent progress in the Coupled Electron-Ion Monte Carlo method and its application to high...
We report recent progress in the Coupled Electron-Ion Monte Carlo method and its application to high...
Liquid-liquid phase transition of hydrogen is at the center of hydrogen phase diagram as a promising...
The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about...
10 pages, 6 figures, prepared for the proceedings of CCP2017We analyze in detail the electronic prop...
10 pages, 6 figures, prepared for the proceedings of CCP2017We analyze in detail the electronic prop...
10 pages, 6 figures, prepared for the proceedings of CCP2017We analyze in detail the electronic prop...
10 pages, 6 figures, prepared for the proceedings of CCP2017We analyze in detail the electronic prop...
The phase diagram of high-pressure hydrogen is of great interest for fundamental research, planetary...
Using Quantum Monte Carlo (QMC) calculations, we investigate the insulator-metal transition observed...
International audienceUsing Quantum Monte Carlo (QMC) calculations, we investigate the insulator-met...
International audienceUsing Quantum Monte Carlo (QMC) calculations, we investigate the insulator-met...
Variational and Diffusion Monte Carlo are powerful computational methods which can afford accurate e...
Variational and Diffusion Monte Carlo are powerful computational methods which can afford accurate e...
The metallization of high-pressure hydrogen, together with the associated molecular to atomic transi...
We report recent progress in the Coupled Electron-Ion Monte Carlo method and its application to high...
We report recent progress in the Coupled Electron-Ion Monte Carlo method and its application to high...
Liquid-liquid phase transition of hydrogen is at the center of hydrogen phase diagram as a promising...
The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about...