Configuration Path integral Monte Carlo approach to thermodynamical properties of dense plasmas

• Applicant: Professor Dr. Michael Bonitz
• Subject Area: Optics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
• Term: from 2013 to 2019
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 229818596

This project focuses on the thermodynamic properties of dense quantum plasmas. Despite the remarkable progress in computer simulations, a first principle method that would allow to cover the whole density-temperature range with the required accuracy and efficiency is still missing. The reason is the fermion sign problem that prevents a reliable treatment of the plasma electrons.Recently we have developed a novel very promising approach: configuration path integral Monte Carlo (CPIMC). For test systems consisting of several tens of particles with low coupling and high quantum degeneracy where other methods, such as direct fermionic MC (DPIMC) fail, we could demonstrate that with CPIMC exact simulations are possible. With this, we recently could achieve a breakthrough in the ab initio description of the uniform electron gas -- a central ingredient of warm dense matter and dense quantum plasmas. At the same time we could demonstrate that previous fermionic simulation apporaches, such as restricted PIMC, are surprisingly inaccurate and unreliable and have to be revised.This projects aims at the systematic further development of CPIMC. We plan to extend it to larger particle numbers and moderate coupling strengths, extrapolate the results to the macroscopic limit and, in the long term, extend CPIMC to dense quantum plasmas. Due to the complementarity of DPIMC and CPIMC we expect that a combination of both methods will open the road for successful first principle simulations of quantum plasmas in a broad density-temperature range.

• DFG Programme: Research Grants