Related Experiment Video
Updated: Aug 13, 2026

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
Published on: March 29, 2016
Coupled electron-ion monte carlo calculations of dense metallic hydrogen
Carlo Pierleoni1, David M Ceperley, Markus Holzmann
1INFM and Department of Physics, Università of L' Aquila, Via Vetoio, I-67010 L'Aquila, Italy.
Abstract:
We present an efficient new Monte Carlo method which couples path integrals for finite temperature protons with quantum Monte Carlo calculations for ground state electrons, and we apply it to metallic hydrogen for pressures beyond molecular dissociation. We report data for the equation of state for temperatures across the melting of the proton crystal. Our data exhibit more structure and higher melting temperatures of the proton crystal than do Car-Parrinello molecular dynamics results. This method fills the gap between high temperature electron-proton path integral and ground state diffusion Monte Carlo methods and should have wide applicability.
Related Concept Videos
Hydrogen Bonds
Lewis Structures of Molecular Compounds and Polyatomic Ions
Bonding in Metals
Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Hydrogen Bonds
Theory of Metallic Conduction
In this theory, Newton's second law of motion is used to determine the acceleration of an electron in the presence of an applied electric field. Then, its velocity is expressed via this acceleration.
An electron moves through the crystal, containing positive ions,...

