Ab-initio molecular dynamics for high-pressure liquid Hydrogen
| dc.creator | Sorella, Sandro | |
| dc.creator | Attaccalite, Claudio | |
| dc.date | 2007-03-30 | |
| dc.date.accessioned | 2026-07-07T07:54:46Z | |
| dc.date.available | 2026-07-07T07:54:46Z | |
| dc.description | We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the forces are computed with finite and small variance, which allows the simulation of a a large number of atoms, ii) the statistical noise corresponding to the forces is used to drive the dynamics at finite temperature by means of an appropriate friction matrix. A first application to the high-density phase of Hydrogen is given, supporting the stability of the liquid phase at = 300GP a and = 400K. | |
| dc.description | 4 pages | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0703800 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0703800 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/126739 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.subject | Other Condensed Matter | |
| dc.title | Ab-initio molecular dynamics for high-pressure liquid Hydrogen | |
| dc.type | text |