Ab initio path integral Monte Carlo approach to the dynamic properties of warm dense electrons

The uniform electron gas (UEG) constitutes one of the most important model systems in quantum physics and theoretical chemistry. While many of its properties at zero temperature have been known for decades, only recently it has become possible to obtain accurate data at Warm Dense Matter conditions, i.e. extreme pressure and finite temperature using ab-initio Path integral Monte Carlo (PIMC) methods.^[1] While many static quantities can be computed directly, the investigation of dynamics is generally limited to an imaginary-time argument. We present a novel method for overcoming the ill-posed problem of recovering real-time properties based on sampling the dynamic local field correction, which has been used to obtain the first ab-initio results for the dynamic structure factor,^[2] dielectric function, dynamic susceptibility and conductivity.^[3]

[1] Dornheim et. al, Phys. Rep. 744 (2018)
[2] Dornheim et. al, Phys. Rev. Let. 121, 255001 (2018)
[3] Hamann et. al, Phys. Rev. B 102, 125150 (2020)