3 papers
physics.chem-ph2025
Taylor series perspective on ab initio path integral Monte Carlo simulations with Fermi-Dirac statistics
Tobias Dornheim, Alexander Benedix Robles, Paul Hamann +6
The fermion sign problem constitutes a fundamental computational bottleneck across a plethora of research fields in physics, quantum chemistry and related disciplines. Recently, it…
physics.chem-ph2025
Second roton feature in the strongly coupled electron liquid
Thomas M. Chuna, Jan Vorberger, Panagiotis Tolias +5
We present extensive \emph{ab initio} path integral Monte Carlo (PIMC) results for the dynamic properties of the finite temperature uniform electron gas (UEG) over a broad range of…
physics.comp-ph2025
PyLIT: Reformulation and implementation of the analytic continuation problem using kernel representation methods
Alexander Benedix Robles, Phil-Alexander Hofmann, Thomas Chuna +2
Path integral Monte Carlo (PIMC) simulations are a cornerstone for studying quantum many-body systems. The analytic continuation (AC) needed to estimate dynamic quantities from the…