# Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations.

@article{Dornheim2022EffectiveEF, title={Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations.}, author={Tobias Dornheim and Panagiotis Tolias and Zhandos A. Moldabekov and Attila Cangi and Jan Vorberger}, journal={The Journal of chemical physics}, year={2022}, volume={156 24}, pages={ 244113 } }

The rigorous description of correlated quantum many-body systems constitutes one of the most challenging tasks in contemporary physics and related disciplines. In this context, a particularly useful tool is the concept of effective pair potentials that take into account the effects of the complex many-body medium consistently. In this work, we present extensive, highly accurate ab initio path integral Monte Carlo (PIMC) results for the effective interaction and the effective force between two…

## 3 Citations

Spin-resolved density response of the warm dense electron gas

- PhysicsPhysical Review Research
- 2022

We present extensive new ab initio path integral Monte Carlo (PIMC) results for the spin-resolved density response of the uniform electron gas (UEG) at warm dense matter conditions. This allows us to…

Static Electronic Density Response of Warm Dense Hydrogen:
Ab Initio
Path Integral Monte Carlo Simulations

- ChemistryPhysical Review Letters
- 2022

Ab initio path integral Monte Carlo simulations of hydrogen snapshots at warm dense matter conditions

- Physics
- 2022

We combine ab initio path integral Monte Carlo (PIMC) simulations with ﬁxed ion conﬁgurations from density functional theory molecular dynamics (DFT-MD) simulations to solve the electronic problem…

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